1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one

C8H13N3O — CID 13492732

IUPAC1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one
SMILESCN1C(=O)CCN2CCCN=C21
InChIInChI=1S/C8H13N3O/c1-10-7(12)3-6-11-5-2-4-9-8(10)11/h2-6H2,1H3
InChIKeyFKEYWNRNFYRWTG-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.09
Rot. Bonds

About 1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one

1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one (PubChem CID 13492732) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one
PubChem CID13492732
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one
SMILESCN1C(=O)CCN2CCCN=C21
InChIInChI=1S/C8H13N3O/c1-10-7(12)3-6-11-5-2-4-9-8(10)11/h2-6H2,1H3
InChIKeyFKEYWNRNFYRWTG-UHFFFAOYSA-N
XLogP-0.09
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one?
The IUPAC name of 1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one (CID 13492732) is 1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one is CN1C(=O)CCN2CCCN=C21.
What is the InChIKey of 1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one?
The InChIKey is FKEYWNRNFYRWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10-7(12)3-6-11-5-2-4-9-8(10)11/h2-6H2,1H3.
What are the key properties of 1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one?
1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 13492732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).