N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

HCID 58944690

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Basic information

CAS: 905580-86-1
Standard SMILES: c1ccc2c(c1)CC[C@@H]2Nc1ncnc2[nH]ccc12
InChIKey: UVNSDOGOYDQGLY-ZDUSSCGKSA-N
Molecular formula: C15H14N4
Average molar mass: 250.3 g/mol
Monoisotopic mass: 250.12184646

Names & identifiers

Preferred name: N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
English name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1H-pyrrolo[2,3-d]pyriMidin-4-aMine
Molecular formula: C15H14N4
Molecular weight: 250.3

Names & synonyms

905580-86-1(S)-N-(2,3-dihydro-1H-inden-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineN-[(1S)-2,3-Dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amineMFCD18207034CHEMBL6188784N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-amineUVNSDOGOYDQGLY-ZDUSSCGKSA-NSCHEMBL193515orb3027838DTXSID80730671CS-M0201BDBM50667917

Show more names

7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-[(1S)-2,3-dihydro-1H-inden-1-yl]-

AKOS027430257CS-13111SY127416W11993T207344(S)-N-(1-Indanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineN-[(1S)-indan-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Database identifiers

CAS: 905580-86-1
PubChem CID: 58944690
DTXSID: DTXSID80730671
ChEMBL: CHEMBL6188784

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 53.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 321

Physicochemical properties

Melting point: 151 · 151-152oC
storage temp.: -20 °C · -20°C Freezer
solubility: Dichloromethane (Slightly), DMSO (Slightly), Methanol (Slgihtly)
form: Solid
color: White to Off-White

Chemistry & industry

Applications

UsesN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1H-pyrrolo[2,3-d]pyriMidin-4-aMine is used in the preparation of nucleoside derivatives as antitumor agents, E1 activating enzymes and MLN4924, an inhibitor of NEDD8-activating enzyme.