6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one

C15H20N4O2 — CID 136809356

IUPAC6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one
SMILESCN(c1nc2ccc(N)cc2c(=O)[nH]1)C1CCCCC1O
InChIInChI=1S/C15H20N4O2/c1-19(12-4-2-3-5-13(12)20)15-17-11-7-6-9(16)8-10(11)14(21)18-15/h6-8,12-13,20H,2-5,16H2,1H3,(H,17,18,21)
InChIKeyMSTAVPBHKBQSQN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.25
Rot. Bonds2

About 6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one

6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one (PubChem CID 136809356) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one
PubChem CID136809356
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one
SMILESCN(c1nc2ccc(N)cc2c(=O)[nH]1)C1CCCCC1O
InChIInChI=1S/C15H20N4O2/c1-19(12-4-2-3-5-13(12)20)15-17-11-7-6-9(16)8-10(11)14(21)18-15/h6-8,12-13,20H,2-5,16H2,1H3,(H,17,18,21)
InChIKeyMSTAVPBHKBQSQN-UHFFFAOYSA-N
XLogP1.25
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-[methyl(thiolan-3-yl)amino]-3H-quinazolin-4-one
CID 136808674
6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one
CID 136808661
6-amino-2-[methyl(2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809047
6-amino-2-[(2-methylcyclohexyl)amino]-3H-quinazolin-4-one
CID 136808573
6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
CID 136808657
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510
2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
6-amino-2-[3-methoxypropyl(methyl)amino]-3H-quinazolin-4-one
CID 136808989
6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one
CID 136809007
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214
6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one
CID 136808665
6-amino-2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809328

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one (CID 136809356) is 6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one is CN(c1nc2ccc(N)cc2c(=O)[nH]1)C1CCCCC1O.
What is the InChIKey of 6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one?
The InChIKey is MSTAVPBHKBQSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19(12-4-2-3-5-13(12)20)15-17-11-7-6-9(16)8-10(11)14(21)18-15/h6-8,12-13,20H,2-5,16H2,1H3,(H,17,18,21).
What are the key properties of 6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one?
6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one has a molecular weight of 288.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136809356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).