4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

C17H12F3N3OS — CID 1475335

IUPAC4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(Sc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H12F3N3OS/c1-24-11-5-7-12(8-6-11)25-15-10-14(17(18,19)20)22-16(23-15)13-4-2-3-9-21-13/h2-10H,1H3
InChIKeyBYCSCXWCGCDDGM-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.72
Rot. Bonds4

About 4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 1475335) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID1475335
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(Sc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H12F3N3OS/c1-24-11-5-7-12(8-6-11)25-15-10-14(17(18,19)20)22-16(23-15)13-4-2-3-9-21-13/h2-10H,1H3
InChIKeyBYCSCXWCGCDDGM-UHFFFAOYSA-N
XLogP4.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 1090234
5-Methoxy-4-[(4-methoxyphenyl)sulfanyl]-2-(2-pyridinyl)pyrimidine
CID 1487220
N-(4-methoxyphenyl)-6-[(4-methoxyphenyl)sulfanyl]pyrimidin-4-amine
CID 22433035
5-Methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
CID 1470741
Phenyl 2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl ether
CID 1475723
6-(4-Methoxyphenyl)sulfanylpteridine-2,4-diamine
CID 324362
4-[(2,4-Difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
CID 127038708
4-[(2,3-Difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
CID 127040094
4-[(3,4-Difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
CID 127040095
4-Methyl-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine
CID 127040096
4-Methyl-2-pyridin-2-yl-6-[(2,3,5-trifluorophenoxy)methyl]pyrimidine
CID 127040097
4-Methyl-2-pyridin-2-yl-6-[(2,4,5-trifluorophenoxy)methyl]pyrimidine
CID 127042379

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (CID 1475335) is 4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is COc1ccc(Sc2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is BYCSCXWCGCDDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c1-24-11-5-7-12(8-6-11)25-15-10-14(17(18,19)20)22-16(23-15)13-4-2-3-9-21-13/h2-10H,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 363.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1475335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).