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

C14H18N4O — CID 136809007

IUPAC6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one
SMILESCC1CCCC1Nc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C14H18N4O/c1-8-3-2-4-11(8)16-14-17-12-6-5-9(15)7-10(12)13(19)18-14/h5-8,11H,2-4,15H2,1H3,(H2,16,17,18,19)
InChIKeyGVXQRSWWTRRNJH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.11
Rot. Bonds2

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

6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one (PubChem CID 136809007) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one
PubChem CID136809007
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one
SMILESCC1CCCC1Nc1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C14H18N4O/c1-8-3-2-4-11(8)16-14-17-12-6-5-9(15)7-10(12)13(19)18-14/h5-8,11H,2-4,15H2,1H3,(H2,16,17,18,19)
InChIKeyGVXQRSWWTRRNJH-UHFFFAOYSA-N
XLogP2.11
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one (CID 136809007) is 6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one is CC1CCCC1Nc1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one?
The InChIKey is GVXQRSWWTRRNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-3-2-4-11(8)16-14-17-12-6-5-9(15)7-10(12)13(19)18-14/h5-8,11H,2-4,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one?
6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one has a molecular weight of 258.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136809007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).