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

C15H17N3 — CID 59447643

IUPAC6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncnc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C15H17N3/c1-12-14-10-18(8-7-15(14)17-11-16-12)9-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyLARWGJRUXHYBII-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.34
Rot. Bonds2

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

6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 59447643) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID59447643
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncnc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C15H17N3/c1-12-14-10-18(8-7-15(14)17-11-16-12)9-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyLARWGJRUXHYBII-UHFFFAOYSA-N
XLogP2.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-benzyl-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 158726618
7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 58378136
7-(furan-3-ylmethyl)-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97381245
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 121370928
5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine
CID 83870694
7-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97404757
6-benzyl-2-(3,5-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 122460623
5-benzyl-3-isocyanato-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 83920308
4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol
CID 137299237
6-benzyl-2-chloro-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870418
ethane;2-(4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzonitrile
CID 91278482
6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 81217160

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 59447643) is 6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ncnc2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is LARWGJRUXHYBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-12-14-10-18(8-7-15(14)17-11-16-12)9-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3.
What are the key properties of 6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 239.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 59447643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).