6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one

C15H20N4O2 — CID 136746805

IUPAC6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one
SMILESNc1cc2c(=O)[nH]cnc2cc1NC1CCCCC1CO
InChIInChI=1S/C15H20N4O2/c16-11-5-10-13(17-8-18-15(10)21)6-14(11)19-12-4-2-1-3-9(12)7-20/h5-6,8-9,12,19-20H,1-4,7,16H2,(H,17,18,21)
InChIKeyXNJTZYILASTDHR-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.47
Rot. Bonds3

About 6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one

6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one (PubChem CID 136746805) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one
PubChem CID136746805
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one
SMILESNc1cc2c(=O)[nH]cnc2cc1NC1CCCCC1CO
InChIInChI=1S/C15H20N4O2/c16-11-5-10-13(17-8-18-15(10)21)6-14(11)19-12-4-2-1-3-9(12)7-20/h5-6,8-9,12,19-20H,1-4,7,16H2,(H,17,18,21)
InChIKeyXNJTZYILASTDHR-UHFFFAOYSA-N
XLogP1.47
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-[(2-methylsulfanylcyclohexyl)amino]-3H-quinazolin-4-one
CID 136811881
6-amino-7-(thian-4-ylamino)-3H-quinazolin-4-one
CID 136952216
6-amino-7-(thian-3-ylamino)-3H-quinazolin-4-one
CID 136952215
6-amino-7-(2-cyclobutylethylamino)-3H-quinazolin-4-one
CID 136930473
5-chloro-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746838
6-amino-7-[(4-hydroxy-2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136984779
5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide
CID 136880867
3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide
CID 136811945
6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
CID 136731490
6-amino-5-[[2-(hydroxymethyl)cyclopentyl]amino]-3H-1,3-benzoxazol-2-one
CID 106359006
[2-(2-amino-5-fluoro-4-iodoanilino)cyclohexyl]methanol
CID 114178420
[2-(2-amino-5-chloro-4-fluoroanilino)cyclohexyl]methanol
CID 106359102

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one (CID 136746805) is 6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one is Nc1cc2c(=O)[nH]cnc2cc1NC1CCCCC1CO.
What is the InChIKey of 6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one?
The InChIKey is XNJTZYILASTDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-11-5-10-13(17-8-18-15(10)21)6-14(11)19-12-4-2-1-3-9(12)7-20/h5-6,8-9,12,19-20H,1-4,7,16H2,(H,17,18,21).
What are the key properties of 6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one?
6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one has a molecular weight of 288.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136746805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).