1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one

C7H11N3O — CID 3823704

IUPAC1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one
SMILESO=C1CCN2CCCN=C2N1
InChIInChI=1S/C7H11N3O/c11-6-2-5-10-4-1-3-8-7(10)9-6/h1-5H2,(H,8,9,11)
InChIKeyRURNDCHHXZWRIB-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.43
Rot. Bonds

About 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one

1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one (PubChem CID 3823704) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one
PubChem CID3823704
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one
SMILESO=C1CCN2CCCN=C2N1
InChIInChI=1S/C7H11N3O/c11-6-2-5-10-4-1-3-8-7(10)9-6/h1-5H2,(H,8,9,11)
InChIKeyRURNDCHHXZWRIB-UHFFFAOYSA-N
XLogP-0.43
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6(1H,5H)-Pyrimidinedione, 2-piperidino-
CID 3045889
4(1H)-Pyrimidinone, 2-amino-5,6-dihydro-1-methyl-
CID 137321859
Pyrimidine, 3,4,5,6-tetrahydro-3-methyl-2-methylamino-4-oxo-
CID 137198303
Imidazo(1,2-a)pyrimidin-7(1H)-one, 2,3,5,6-tetrahydro-
CID 152762
3-Fluoro-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640039
4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 13256629
2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 13398177
N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358645
2-Methylimino-1,3-diazinan-4-one
CID 135763254
N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 140842940
2-methylimino-5,6-dihydro-1H-pyrimidin-3-id-4-one;rhodium
CID 153391584
N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 153709097

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one?
The IUPAC name of 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one (CID 3823704) is 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one is O=C1CCN2CCCN=C2N1.
What is the InChIKey of 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one?
The InChIKey is RURNDCHHXZWRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-6-2-5-10-4-1-3-8-7(10)9-6/h1-5H2,(H,8,9,11).
What are the key properties of 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one?
1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one has a molecular weight of 153.19 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 3823704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).