2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C19H18ClN3S — CID 24930926

IUPAC2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1csc(CN2CCc3cnc(-c4ccc(Cl)cc4)nc3C2)c1
InChIInChI=1S/C19H18ClN3S/c1-13-8-17(24-12-13)10-23-7-6-15-9-21-19(22-18(15)11-23)14-2-4-16(20)5-3-14/h2-5,8-9,12H,6-7,10-11H2,1H3
InChIKeyFUXFSIUXPVYDIQ-UHFFFAOYSA-N
MW355.89 g/mol
LogP4.73
Rot. Bonds3

About 2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930926) has the molecular formula C19H18ClN3S and a molecular weight of 355.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930926
Molecular FormulaC19H18ClN3S
Molecular Weight355.89 g/mol
Exact Mass355.09
IUPAC Name2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1csc(CN2CCc3cnc(-c4ccc(Cl)cc4)nc3C2)c1
InChIInChI=1S/C19H18ClN3S/c1-13-8-17(24-12-13)10-23-7-6-15-9-21-19(22-18(15)11-23)14-2-4-16(20)5-3-14/h2-5,8-9,12H,6-7,10-11H2,1H3
InChIKeyFUXFSIUXPVYDIQ-UHFFFAOYSA-N
XLogP4.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930380
2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296
2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930863
2-(4-chlorophenyl)-7-[(1-methylindol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930632
2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909324
2-(4-chlorophenyl)-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930464
7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930578
2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913489
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227
7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930328
4-[7-[(2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24930272

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930926) is 2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1csc(CN2CCc3cnc(-c4ccc(Cl)cc4)nc3C2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is FUXFSIUXPVYDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3S/c1-13-8-17(24-12-13)10-23-7-6-15-9-21-19(22-18(15)11-23)14-2-4-16(20)5-3-14/h2-5,8-9,12H,6-7,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 355.89 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).