2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one

C23H17N5O2 — CID 136983025

IUPAC2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(-c2ccccc2)n1)N1Cc2cnc(-c3ccccc3)nc2C1
InChIInChI=1S/C23H17N5O2/c29-20-11-18(25-22(27-20)16-9-5-2-6-10-16)23(30)28-13-17-12-24-21(26-19(17)14-28)15-7-3-1-4-8-15/h1-12H,13-14H2,(H,25,27,29)
InChIKeyYXZSPPXQNOYABH-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.05
Rot. Bonds3

About 2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one

2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one (PubChem CID 136983025) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one
PubChem CID136983025
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(-c2ccccc2)n1)N1Cc2cnc(-c3ccccc3)nc2C1
InChIInChI=1S/C23H17N5O2/c29-20-11-18(25-22(27-20)16-9-5-2-6-10-16)23(30)28-13-17-12-24-21(26-19(17)14-28)15-7-3-1-4-8-15/h1-12H,13-14H2,(H,25,27,29)
InChIKeyYXZSPPXQNOYABH-UHFFFAOYSA-N
XLogP3.05
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-2-methoxyphenyl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56752349
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one
CID 162628924
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 95205878
N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide
CID 56748005
4-methyl-6-(oxolan-3-yl)-3-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyran-2-one
CID 170510547
3-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-6-phenyl-1H-pyridin-2-one
CID 72875935
(4S)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 125169350
(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one
CID 95221109
2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 72937112
(2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 53147104
N-(2-methylpropyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147267

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one (CID 136983025) is 2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]c(-c2ccccc2)n1)N1Cc2cnc(-c3ccccc3)nc2C1.
What is the InChIKey of 2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is YXZSPPXQNOYABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c29-20-11-18(25-22(27-20)16-9-5-2-6-10-16)23(30)28-13-17-12-24-21(26-19(17)14-28)15-7-3-1-4-8-15/h1-12H,13-14H2,(H,25,27,29).
What are the key properties of 2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one?
2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 395.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136983025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).