7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C20H19N3 — CID 58378136

IUPAC7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc(CN2CCc3c(ncnc3-c3ccccc3)C2)cc1
InChIInChI=1S/C20H19N3/c1-3-7-16(8-4-1)13-23-12-11-18-19(14-23)21-15-22-20(18)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyMNVWQNRSCSCLJZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.70
Rot. Bonds3

About 7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 58378136) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID58378136
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc(CN2CCc3c(ncnc3-c3ccccc3)C2)cc1
InChIInChI=1S/C20H19N3/c1-3-7-16(8-4-1)13-23-12-11-18-19(14-23)21-15-22-20(18)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyMNVWQNRSCSCLJZ-UHFFFAOYSA-N
XLogP3.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 59447643
4-(4-fluorophenyl)-7-(pyridin-4-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97381363
7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 143077961
(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid
CID 129050640
3-[[(7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]methyl]adamantan-1-ol
CID 59160101
4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol
CID 137299237
7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 69329064
7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930870
4-[7-benzyl-2-(diethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]benzonitrile
CID 46206529
4-(4-fluorophenyl)-7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine;bis(2,2,2-trifluoroacetic acid)
CID 155840645
7-[[3-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 69267923
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 58378136) is 7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is c1ccc(CN2CCc3c(ncnc3-c3ccccc3)C2)cc1.
What is the InChIKey of 7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is MNVWQNRSCSCLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-3-7-16(8-4-1)13-23-12-11-18-19(14-23)21-15-22-20(18)17-9-5-2-6-10-17/h1-10,15H,11-14H2.
What are the key properties of 7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 301.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 58378136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).