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

C12H17N3O — CID 135441918

IUPAC8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one
SMILESCC1CCc2nc3n(c(=O)c2C1)CCCN3
InChIInChI=1S/C12H17N3O/c1-8-3-4-10-9(7-8)11(16)15-6-2-5-13-12(15)14-10/h8H,2-7H2,1H3,(H,13,14)
InChIKeyHITNTEVFYQXCJG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.18
Rot. Bonds

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

8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one (PubChem CID 135441918) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one
PubChem CID135441918
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one
SMILESCC1CCc2nc3n(c(=O)c2C1)CCCN3
InChIInChI=1S/C12H17N3O/c1-8-3-4-10-9(7-8)11(16)15-6-2-5-13-12(15)14-10/h8H,2-7H2,1H3,(H,13,14)
InChIKeyHITNTEVFYQXCJG-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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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 8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
The IUPAC name of 8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one (CID 135441918) is 8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one.
What is the SMILES notation for 8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
The canonical SMILES for 8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one is CC1CCc2nc3n(c(=O)c2C1)CCCN3.
What is the InChIKey of 8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
The InChIKey is HITNTEVFYQXCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-3-4-10-9(7-8)11(16)15-6-2-5-13-12(15)14-10/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one?
8-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 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4,7,8,9,10-octahydropyrimido[2,1-b]quinazolin-6-one is sourced from PubChem (CID 135441918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).