6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C18H17N5 — CID 56740788

IUPAC6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCc1ncc(C)c(N2Cc3cnc(-c4ccccc4)nc3C2)n1
InChIInChI=1S/C18H17N5/c1-12-8-19-13(2)21-18(12)23-10-15-9-20-17(22-16(15)11-23)14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyXTDWTGXNCYTQTM-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.07
Rot. Bonds2

About 6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 56740788) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID56740788
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCc1ncc(C)c(N2Cc3cnc(-c4ccccc4)nc3C2)n1
InChIInChI=1S/C18H17N5/c1-12-8-19-13(2)21-18(12)23-10-15-9-20-17(22-16(15)11-23)14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyXTDWTGXNCYTQTM-UHFFFAOYSA-N
XLogP3.07
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-oxo-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butan-2-yl]acetamide
CID 56748005
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 95205878
6-[(1-methylimidazol-4-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913300
2-methyl-6-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929641
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one
CID 95221109
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane
CID 91001277
4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine
CID 24912586
2,5-dimethyl-4-phenylpyrimidine;ethane
CID 143883358
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42669944
6-(4-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147416

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 56740788) is 6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is Cc1ncc(C)c(N2Cc3cnc(-c4ccccc4)nc3C2)n1.
What is the InChIKey of 6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is XTDWTGXNCYTQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-12-8-19-13(2)21-18(12)23-10-15-9-20-17(22-16(15)11-23)14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 303.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrimidin-4-yl)-2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 56740788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).