4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine

C19H16F3N3OS — CID 162358682

IUPAC4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccc(C)cn2)nc(Sc2ccc(C)cc2)c1C(F)(F)F
InChIInChI=1S/C19H16F3N3OS/c1-11-4-7-13(8-5-11)27-18-15(19(20,21)22)17(26-3)24-16(25-18)14-9-6-12(2)10-23-14/h4-10H,1-3H3
InChIKeyGQIJAIBIZMCFQO-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.33
Rot. Bonds4

About 4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine

4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine (PubChem CID 162358682) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine
PubChem CID162358682
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccc(C)cn2)nc(Sc2ccc(C)cc2)c1C(F)(F)F
InChIInChI=1S/C19H16F3N3OS/c1-11-4-7-13(8-5-11)27-18-15(19(20,21)22)17(26-3)24-16(25-18)14-9-6-12(2)10-23-14/h4-10H,1-3H3
InChIKeyGQIJAIBIZMCFQO-UHFFFAOYSA-N
XLogP5.33
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-6-[(4-methylphenyl)thio]-2-(2-pyridyl)pyrimidine
CID 2725934
Methyl 4-{[2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]sulfanyl}phenyl ether
CID 1475335
2-(Pyridin-2-yl)-4-(4-(trifluoromethyl)phenylthio)pyrimidine
CID 11256060
2-(Pyridin-2-yl)-4-(3-(trifluoromethyl)phenylthio)pyrimidine
CID 11450419
Methyl 4-[(4-methylphenyl)sulfanyl]-2-(2-pyridinyl)-5-pyrimidinyl ether
CID 1470825
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine
CID 3740868
4-Benzylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 70693492
Methyl 2-(2-pyridinyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinyl ether
CID 1487219
4-Benzylsulfanyl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 56695239
2-(6-Methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole
CID 122674202
2-(6-Methoxy-2-methylpyrimidin-4-yl)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole
CID 122674214
2-(6-Methoxy-2-methylpyrimidin-4-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole
CID 122674215

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine (CID 162358682) is 4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine is COc1nc(-c2ccc(C)cn2)nc(Sc2ccc(C)cc2)c1C(F)(F)F.
What is the InChIKey of 4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is GQIJAIBIZMCFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-11-4-7-13(8-5-11)27-18-15(19(20,21)22)17(26-3)24-16(25-18)14-9-6-12(2)10-23-14/h4-10H,1-3H3.
What are the key properties of 4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine?
4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 391.42 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 162358682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).