1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

C12H10N4O — CID 57148006

IUPAC1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESO=C1NCc2cncnc2N1c1ccccc1
InChIInChI=1S/C12H10N4O/c17-12-14-7-9-6-13-8-15-11(9)16(12)10-4-2-1-3-5-10/h1-6,8H,7H2,(H,14,17)
InChIKeyHMNBGLNNOFJPHR-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.84
Rot. Bonds1

About 1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (PubChem CID 57148006) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
PubChem CID57148006
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESO=C1NCc2cncnc2N1c1ccccc1
InChIInChI=1S/C12H10N4O/c17-12-14-7-9-6-13-8-15-11(9)16(12)10-4-2-1-3-5-10/h1-6,8H,7H2,(H,14,17)
InChIKeyHMNBGLNNOFJPHR-UHFFFAOYSA-N
XLogP1.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 13259301
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 141035153
7-phenyl-9-pyridin-4-yl-8H-purine
CID 58556344
1-(1,3-dioxolan-2-ylmethylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 68578814
3,14-diphenyl-3,5,14,16-tetrazatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene-4,15-dione
CID 102100934
5-iodo-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 65418435
7-phenyl-9-pyridin-3-yl-8H-purine
CID 58556336
2-phenylimidazo[1,5-a]quinoxalin-10-ium-1,3-dione
CID 56612331
5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one
CID 90099434
3'-phenylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
CID 146087793
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
1-benzyl-3-(2,6-dichloro-3,5-dihydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 166958319

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (CID 57148006) is 1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is O=C1NCc2cncnc2N1c1ccccc1.
What is the InChIKey of 1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is HMNBGLNNOFJPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c17-12-14-7-9-6-13-8-15-11(9)16(12)10-4-2-1-3-5-10/h1-6,8H,7H2,(H,14,17).
What are the key properties of 1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 226.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 57148006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).