8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one

C12H13N3O — CID 136826742

IUPAC8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one
SMILESCc1ccc2nc3n(c(=O)c2c1)CCCN3
InChIInChI=1S/C12H13N3O/c1-8-3-4-10-9(7-8)11(16)15-6-2-5-13-12(15)14-10/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyIWGBZWIKYWOVJZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.52
Rot. Bonds

About 8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one

8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one (PubChem CID 136826742) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one
PubChem CID136826742
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one
SMILESCc1ccc2nc3n(c(=O)c2c1)CCCN3
InChIInChI=1S/C12H13N3O/c1-8-3-4-10-9(7-8)11(16)15-6-2-5-13-12(15)14-10/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyIWGBZWIKYWOVJZ-UHFFFAOYSA-N
XLogP1.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
7-bromo-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one
CID 136771450
7-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 118482542
6-(cyclohexylmethyl)-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 171485764
2-propyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136923890
3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one
CID 3436162
3-ethyl-6-methyl-2-[(1S)-1-[(3S)-3-methyl-1,4-diazepan-1-yl]butyl]quinazolin-4-one
CID 166046834
2,4,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2-dien-9-one
CID 136923897
2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
2,4,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
CID 135577973
2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
CID 117264131
2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 136995529

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one?
The IUPAC name of 8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one (CID 136826742) is 8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one.
What is the SMILES notation for 8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one?
The canonical SMILES for 8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one is Cc1ccc2nc3n(c(=O)c2c1)CCCN3.
What is the InChIKey of 8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one?
The InChIKey is IWGBZWIKYWOVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-4-10-9(7-8)11(16)15-6-2-5-13-12(15)14-10/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one?
8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one has a molecular weight of 215.26 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4-tetrahydropyrimido[2,1-b]quinazolin-6-one is sourced from PubChem (CID 136826742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).