3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

C8H11N3O — CID 596798

IUPAC3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2n(c1=O)CCCN2
InChIInChI=1S/C8H11N3O/c1-6-5-10-8-9-3-2-4-11(8)7(6)12/h5H,2-4H2,1H3,(H,9,10)
InChIKeyWUHOQVKZDFEHEX-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.37
Rot. Bonds

About 3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 596798) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID596798
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2n(c1=O)CCCN2
InChIInChI=1S/C8H11N3O/c1-6-5-10-8-9-3-2-4-11(8)7(6)12/h5H,2-4H2,1H3,(H,9,10)
InChIKeyWUHOQVKZDFEHEX-UHFFFAOYSA-N
XLogP0.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Diethylamino)-5-methylpyrimidin-4-ol
CID 602372
7-Methyl-8-oxo-1,2,3,4-tetrahydro-8H-pyrimido[1,2-a]pyrimidine
CID 596797
2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325826
3,7-Dimethyl-2H-pyrimido(1,2-a)pyrimidine-2,6(1H)-dione
CID 14842378
3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 14842379
5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 15175751
6,7,8,8a-tetrahydro-3H-pyrimido[4,5-d]pyrimidin-5-one
CID 118164537
2-[3-Aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one
CID 118489722
5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 131881386
1H,2H,3H,4H,6H-Pyrimido[1,2-A][1,3]diazin-6-one
CID 135738618
3-(1-Aminoethyl)-5-methylpyrimidin-4-one
CID 138743965
7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 144404258

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 596798) is 3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is Cc1cnc2n(c1=O)CCCN2.
What is the InChIKey of 3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is WUHOQVKZDFEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-5-10-8-9-3-2-4-11(8)7(6)12/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 596798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).