6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H24N4S — CID 24914429

IUPAC6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCSc1ncc2c(n1)CCN(Cc1ccc(-c3cccc(C)c3C)nc1)C2
InChIInChI=1S/C22H24N4S/c1-15-5-4-6-19(16(15)2)21-8-7-17(11-23-21)13-26-10-9-20-18(14-26)12-24-22(25-20)27-3/h4-8,11-12H,9-10,13-14H2,1-3H3
InChIKeyXYQJAEKSYCRVMS-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.44
Rot. Bonds4

About 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914429) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914429
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCSc1ncc2c(n1)CCN(Cc1ccc(-c3cccc(C)c3C)nc1)C2
InChIInChI=1S/C22H24N4S/c1-15-5-4-6-19(16(15)2)21-8-7-17(11-23-21)13-26-10-9-20-18(14-26)12-24-22(25-20)27-3/h4-8,11-12H,9-10,13-14H2,1-3H3
InChIKeyXYQJAEKSYCRVMS-UHFFFAOYSA-N
XLogP4.44
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914433
2-methylsulfanyl-6-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914051
6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917578
6-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914182
6-[(4-methyl-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917074
6-[(2,6-dimethoxyphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928964
6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945848
2-methyl-6-[[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914031
6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929216
6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912602
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914220
6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915416

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914429) is 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CSc1ncc2c(n1)CCN(Cc1ccc(-c3cccc(C)c3C)nc1)C2.
What is the InChIKey of 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XYQJAEKSYCRVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-15-5-4-6-19(16(15)2)21-8-7-17(11-23-21)13-26-10-9-20-18(14-26)12-24-22(25-20)27-3/h4-8,11-12H,9-10,13-14H2,1-3H3.
What are the key properties of 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 376.53 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).