3-(6-(1H-indazol-5-ylamino)-2-morpholinopyrimidin-4-yl)phenol

HCID 10475366

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Basic information

CAS: 701242-64-0
Standard SMILES: Oc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1
InChIKey: OUULCVQTKHSXBK-UHFFFAOYSA-N
Molecular formula: C21H20N6O2
Average molar mass: 388.4 g/mol
Monoisotopic mass: 388.1647739

Names & identifiers

Preferred name: 3-(6-(1H-indazol-5-ylamino)-2-morpholinopyrimidin-4-yl)phenol
IUPAC: 3-[6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenol

Names & synonyms

701242-64-0CHEMBL12899753-(6-(1H-indazol-5-ylamino)-2-morpholinopyrimidin-4-yl)phenolSCHEMBL1821854DTXSID304405763-[6-(1h-indazol-5-ylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenolBDBM503315773-{6-[(1H-Indazol-5-yl)amino]-2-(morpholin-4-yl)pyrimidin-4-yl}phenol

Database identifiers

CAS: 701242-64-0
PubChem CID: 10475366
DTXSID: DTXSID30440576
ChEMBL: CHEMBL1289975

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 99.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 29
Formal charge: 0
Complexity: 533

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