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

C19H16F3N3S — CID 24931162

IUPAC7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CN(Cc1ccc(-c3ccccc3)s1)CC2
InChIInChI=1S/C19H16F3N3S/c20-19(21,22)18-23-10-14-8-9-25(12-16(14)24-18)11-15-6-7-17(26-15)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2
InChIKeyVYDLJFMSZBWDBO-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.78
Rot. Bonds3

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

7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931162) has the molecular formula C19H16F3N3S and a molecular weight of 375.42 g/mol. Its IUPAC name is 7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24931162
Molecular FormulaC19H16F3N3S
Molecular Weight375.42 g/mol
Exact Mass375.10
IUPAC Name7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CN(Cc1ccc(-c3ccccc3)s1)CC2
InChIInChI=1S/C19H16F3N3S/c20-19(21,22)18-23-10-14-8-9-25(12-16(14)24-18)11-15-6-7-17(26-15)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2
InChIKeyVYDLJFMSZBWDBO-UHFFFAOYSA-N
XLogP4.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

6-[(5-phenylthiophen-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911338
6-[(5-ethylthiophen-2-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910044
1-[5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone
CID 24910968
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911725
2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915688
2-propan-2-yl-6-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915691
2-pyridin-4-yl-6-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915697
6-[[5-(3-methoxyphenyl)thiophen-2-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915647
2-tert-butyl-6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915629
2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915578
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911740
6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909603

Frequently Asked Questions

What is the IUPAC name of 7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931162) is 7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is FC(F)(F)c1ncc2c(n1)CN(Cc1ccc(-c3ccccc3)s1)CC2.
What is the InChIKey of 7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is VYDLJFMSZBWDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3S/c20-19(21,22)18-23-10-14-8-9-25(12-16(14)24-18)11-15-6-7-17(26-15)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2.
What are the key properties of 7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 375.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).