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

C7H9N3O — CID 135738618

IUPAC6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2n1CCCN2
InChIInChI=1S/C7H9N3O/c11-6-2-4-9-7-8-3-1-5-10(6)7/h2,4H,1,3,5H2,(H,8,9)
InChIKeyQMJBSXGXBOBMPC-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.06
Rot. Bonds

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

6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 135738618) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID135738618
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2n1CCCN2
InChIInChI=1S/C7H9N3O/c11-6-2-4-9-7-8-3-1-5-10(6)7/h2,4H,1,3,5H2,(H,8,9)
InChIKeyQMJBSXGXBOBMPC-UHFFFAOYSA-N
XLogP0.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 135738618) is 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is O=c1ccnc2n1CCCN2.
What is the InChIKey of 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is QMJBSXGXBOBMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-6-2-4-9-7-8-3-1-5-10(6)7/h2,4H,1,3,5H2,(H,8,9).
What are the key properties of 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 151.17 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135738618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).