2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one

C9H13N3O — CID 170054695

IUPAC2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
SMILESCc1cnc2n(c1=O)CCC(C)N2
InChIInChI=1S/C9H13N3O/c1-6-5-10-9-11-7(2)3-4-12(9)8(6)13/h5,7H,3-4H2,1-2H3,(H,10,11)
InChIKeyBFPKLYILJGFSGD-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.76
Rot. Bonds

About 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one

2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 170054695) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
PubChem CID170054695
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
SMILESCc1cnc2n(c1=O)CCC(C)N2
InChIInChI=1S/C9H13N3O/c1-6-5-10-9-11-7(2)3-4-12(9)8(6)13/h5,7H,3-4H2,1-2H3,(H,10,11)
InChIKeyBFPKLYILJGFSGD-UHFFFAOYSA-N
XLogP0.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one (CID 170054695) is 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one is Cc1cnc2n(c1=O)CCC(C)N2.
What is the InChIKey of 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is BFPKLYILJGFSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-5-10-9-11-7(2)3-4-12(9)8(6)13/h5,7H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 170054695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).