4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C10H13N3O — CID 3137930

IUPAC4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2c(N)ncnc2C1
InChIInChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyDYPFWRCGECJCBK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.21
Rot. Bonds

About 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one

4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 3137930) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID3137930
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2c(N)ncnc2C1
InChIInChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyDYPFWRCGECJCBK-UHFFFAOYSA-N
XLogP1.21
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-7,7-dimethyl-4-propyl-7,8-dihydroquinazolin-5(6H)-one
CID 2834688
2-Amino-5,6,7,8-tetrahydroquinazolin-5-one
CID 5200220
N-[(2Z)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2(1H)-ylidene]pentanamide
CID 1594930
2-(Cyclopentylamino)-7,7-dimethyl-6,7,8-trihydroquinazolin-5-one
CID 899236
2-(Cyclopropylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 939072
2-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 2772366
2-amino-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 3426161
2-Amino-4-ethyl-7,7-dimethyl-6,7,8-trihydroquinazolin-5-one
CID 2851058
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methylbutanamide
CID 658911
2-Butyl-N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl)cyclopropanecarboxamide
CID 615629
7-methyl-2-[(4-methylcyclohexyl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 57389235
2-amino-4-butyl-7,7-dimethyl-7,8-dihydro-5(6H)-quinazolinone
CID 23933548

Frequently Asked Questions

What is the IUPAC name of 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 3137930) is 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2c(N)ncnc2C1.
What is the InChIKey of 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is DYPFWRCGECJCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 191.23 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 3137930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).