7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one

C12H17N3O — CID 135441917

IUPAC7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one
SMILESCC1CCCc2nc3n(c(=O)c21)CCCN3
InChIInChI=1S/C12H17N3O/c1-8-4-2-5-9-10(8)11(16)15-7-3-6-13-12(15)14-9/h8H,2-7H2,1H3,(H,13,14)
InChIKeyAMRLIJFYFVVOOV-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.50
Rot. Bonds

About 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one

7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one (PubChem CID 135441917) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one
PubChem CID135441917
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one
SMILESCC1CCCc2nc3n(c(=O)c21)CCCN3
InChIInChI=1S/C12H17N3O/c1-8-4-2-5-9-10(8)11(16)15-7-3-6-13-12(15)14-9/h8H,2-7H2,1H3,(H,13,14)
InChIKeyAMRLIJFYFVVOOV-UHFFFAOYSA-N
XLogP1.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-methyl-1-piperazinyl)-
CID 135417158
5,6,7,8-Tetrahydro-2-(1-piperidinyl)-4(3H)-quinazolinone
CID 135417546
2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135417580
1,2,3,4,7,8,9,10-octahydro-6H-pyrimido[2,1-b]quinazolin-6-one
CID 135443711
2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135425126
2-(4-Trifluoromethylpiperidin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136268339
2-Amino-n,n-diethyl-4-oxo-1,4,5,6,7,8-hexahydroquinazoline-6-carboxamide
CID 135408809
6-methyl-5-pentyl-2-(piperidin-1-yl)pyrimidin-4(3H)-one
CID 135399502
6-Methyl-5-(3-methylbutyl)-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135459246
2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-6-methylpyrimidin-4(3H)-one
CID 135644674
6-methyl-5-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135644909
N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
CID 137058269

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
The IUPAC name of 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one (CID 135441917) is 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one.
What is the SMILES notation for 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
The canonical SMILES for 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one is CC1CCCc2nc3n(c(=O)c21)CCCN3.
What is the InChIKey of 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
The InChIKey is AMRLIJFYFVVOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-4-2-5-9-10(8)11(16)15-7-3-6-13-12(15)14-9/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one has a molecular weight of 219.29 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one is sourced from PubChem (CID 135441917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).