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

C7H10N4O — CID 136923893

IUPAC2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESNc1cc(=O)n2c(n1)NCCC2
InChIInChI=1S/C7H10N4O/c8-5-4-6(12)11-3-1-2-9-7(11)10-5/h4H,1-3,8H2,(H,9,10)
InChIKeyMYZMKTPJVBEXGC-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.36
Rot. Bonds

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

2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 136923893) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID136923893
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESNc1cc(=O)n2c(n1)NCCC2
InChIInChI=1S/C7H10N4O/c8-5-4-6(12)11-3-1-2-9-7(11)10-5/h4H,1-3,8H2,(H,9,10)
InChIKeyMYZMKTPJVBEXGC-UHFFFAOYSA-N
XLogP-0.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325827
8-methyl-1H,2H,3H,4H,6H-pyrimido[1,2-a][1,3]diazin-6-one
CID 136303942
2-hydroxy-7,7-dimethyl-1H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidin-4-one
CID 136344293
2,3,6,7,8-Pentafluoro-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136471280
2-(Fluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141286922
2-Amino-6-(piperazin-1-yl)pyrimidin-4(3H)-one
CID 135933880
6-amino-2-piperidin-1-ylpyrimidin-4(3H)-one
CID 135587490
1H,2H,3H,4H,6H-Pyrimido[1,2-A][1,3]diazin-6-one
CID 135738618
2-chloro-7,7-dimethyl-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136344292
6,7,8,9-Tetrahydropyrimido[1,2-a]pyrimidin-2-one
CID 136430581
3-Bromo-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136699707
2-Chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 137156550

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 136923893) is 2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is Nc1cc(=O)n2c(n1)NCCC2.
What is the InChIKey of 2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is MYZMKTPJVBEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-5-4-6(12)11-3-1-2-9-7(11)10-5/h4H,1-3,8H2,(H,9,10).
What are the key properties of 2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 166.18 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136923893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).