5-(Piperidin-4-ylmethoxy)quinazoline-2,4-diamine (HCID 57576565)

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Basic information

Standard SMILES: Nc1nc(N)c2c(OCC3CCNCC3)cccc2n1
InChIKey: QCFDMNMKUJDLQR-UHFFFAOYSA-N
Molecular formula: C14H19N5O
Average molar mass: 273.33 g/mol
Monoisotopic mass: 273.15896025

Names & identifiers

Preferred name: 5-(Piperidin-4-ylmethoxy)quinazoline-2,4-diamine
IUPAC: 5-(piperidin-4-ylmethoxy)quinazoline-2,4-diamine

Names & synonyms

872179-87-85-(piperidin-4-ylmethoxy)quinazoline-2,4-diamine5-[(PIPERIDIN-4-YL)METHOXY]QUINAZOLINE-2,4-DIAMINESCHEMBL1155228QCFDMNMKUJDLQR-UHFFFAOYSA-NF96956

Database identifiers

PubChem CID: 57576565
Nikkaji: J3.653.508C

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 99.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 310

Related reactions

46 records

New reaction record

HRID 143657As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 153972As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 159334As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 191528As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 195587As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 200118As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 214349As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 297429As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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