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

C7H11N3O — CID 73412120

IUPAC2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one
SMILESO=C1CCNC2=NCCCN12
InChIInChI=1S/C7H11N3O/c11-6-2-4-9-7-8-3-1-5-10(6)7/h1-5H2,(H,8,9)
InChIKeyXGGGDLRVQTZEIE-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.43
Rot. Bonds

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

2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 73412120) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one
PubChem CID73412120
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one
SMILESO=C1CCNC2=NCCCN12
InChIInChI=1S/C7H11N3O/c11-6-2-4-9-7-8-3-1-5-10(6)7/h1-5H2,(H,8,9)
InChIKeyXGGGDLRVQTZEIE-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

Pyrimidine, 3,4,5,6-tetrahydro-3-methyl-2-methylamino-4-oxo-
CID 137198303
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-Methylimino-1,3-diazinan-4-one
CID 135763254
1-Cyano-2-[(4-oxo-1,3-diazinan-1-yl)methyl]guanidine
CID 148630679
2-methylimino-5,6-dihydro-1H-pyrimidin-3-id-4-one;rhodium
CID 153391584
1-methyl-3,4,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-6-one
CID 153811580
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-2-one
CID 3823704
1-methyl-4,6,7,8-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-2-one
CID 13492732
5,6-Dihydro-2-(1-piperazinyl)-4(3H)-pyrimidinone
CID 97640903
3,3-Dimethyl-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640042
1-(4-Methylpiperazin-1-yl)-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-one
CID 119112759

Frequently Asked Questions

What is the IUPAC name of 2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one (CID 73412120) is 2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one is O=C1CCNC2=NCCCN12.
What is the InChIKey of 2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is XGGGDLRVQTZEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-6-2-4-9-7-8-3-1-5-10(6)7/h1-5H2,(H,8,9).
What are the key properties of 2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one?
2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-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 2,3,4,7,8,9-hexahydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 73412120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).