4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine

C21H17F2N3S — CID 141065177

IUPAC4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
SMILESCSc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1ccccc1F)CC=C2
InChIInChI=1S/C21H17F2N3S/c1-13-12-14(22)9-10-15(13)19-16-6-5-11-26(18-8-4-3-7-17(18)23)20(16)25-21(24-19)27-2/h3-10,12H,11H2,1-2H3
InChIKeyNVNBYAAXEJJZOV-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.62
Rot. Bonds3

About 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine

4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine (PubChem CID 141065177) has the molecular formula C21H17F2N3S and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
PubChem CID141065177
Molecular FormulaC21H17F2N3S
Molecular Weight381.45 g/mol
Exact Mass381.11
IUPAC Name4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
SMILESCSc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1ccccc1F)CC=C2
InChIInChI=1S/C21H17F2N3S/c1-13-12-14(22)9-10-15(13)19-16-6-5-11-26(18-8-4-3-7-17(18)23)20(16)25-21(24-19)27-2/h3-10,12H,11H2,1-2H3
InChIKeyNVNBYAAXEJJZOV-UHFFFAOYSA-N
XLogP5.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine
CID 141065203
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10272017
4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine
CID 141076952
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one;2-methylsulfanyl-4,8-diphenyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 158117669
5-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 91132137
4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 141065190
8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10291745
2-(4-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 55249543
2-(cyclohexylamino)-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 68679725
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 69363982
2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine
CID 62125233
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 59639560

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine (CID 141065177) is 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine is CSc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1ccccc1F)CC=C2.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
The InChIKey is NVNBYAAXEJJZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3S/c1-13-12-14(22)9-10-15(13)19-16-6-5-11-26(18-8-4-3-7-17(18)23)20(16)25-21(24-19)27-2/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine has a molecular weight of 381.45 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 141065177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).