1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

C10H10N6O — CID 139967098

IUPAC1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESCn1ccnc1N1C(=O)NCc2cncnc21
InChIInChI=1S/C10H10N6O/c1-15-3-2-12-9(15)16-8-7(4-11-6-14-8)5-13-10(16)17/h2-4,6H,5H2,1H3,(H,13,17)
InChIKeyHSGBJJOLDDAAAC-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.57
Rot. Bonds1

About 1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (PubChem CID 139967098) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
PubChem CID139967098
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESCn1ccnc1N1C(=O)NCc2cncnc21
InChIInChI=1S/C10H10N6O/c1-15-3-2-12-9(15)16-8-7(4-11-6-14-8)5-13-10(16)17/h2-4,6H,5H2,1H3,(H,13,17)
InChIKeyHSGBJJOLDDAAAC-UHFFFAOYSA-N
XLogP0.57
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
CID 222693
[1-(1-methylimidazol-2-yl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl] 2,2,2-trifluoroacetate
CID 142656894
1-(1-Methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one;2,2,2-trifluoroacetic acid
CID 157403866
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 137982955
5-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-N-ethylpyrimidin-2-amine
CID 56750244
3-[[Methyl(pyrimidin-5-ylmethyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467285
1-[3-[[5-Methyl-2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117090057
1-Methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 18425503
1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 54464751
1-[2-(1H-Imidazol-1-YL)pyrimidin-5-YL]methanamine
CID 55263553
2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
CID 68580011
1,7-Dimethyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
CID 121388803

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (CID 139967098) is 1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is Cn1ccnc1N1C(=O)NCc2cncnc21.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is HSGBJJOLDDAAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-15-3-2-12-9(15)16-8-7(4-11-6-14-8)5-13-10(16)17/h2-4,6H,5H2,1H3,(H,13,17).
What are the key properties of 1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 230.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 139967098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).