N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C32H25ClF6N8S2 — CID 157099121

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1nc(-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)sc1C.Cc1nc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)sc1C
InChIInChI=1S/C16H12ClF3N4S.C16H13F3N4S/c1-8-9(2)25-14(22-8)13-5-6-21-15(24-13)23-10-3-4-12(17)11(7-10)16(18,19)20;1-9-10(2)24-14(21-9)13-6-7-20-15(23-13)22-12-5-3-4-11(8-12)16(17,18)19/h3-7H,1-2H3,(H,21,23,24);3-8H,1-2H3,(H,20,22,23)
InChIKeyAFOGVURHRPHMFJ-UHFFFAOYSA-N
MW735.18 g/mol
LogP10.61
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 157099121) has the molecular formula C32H25ClF6N8S2 and a molecular weight of 735.18 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID157099121
Molecular FormulaC32H25ClF6N8S2
Molecular Weight735.18 g/mol
Exact Mass734.12
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1nc(-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)sc1C.Cc1nc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)sc1C
InChIInChI=1S/C16H12ClF3N4S.C16H13F3N4S/c1-8-9(2)25-14(22-8)13-5-6-21-15(24-13)23-10-3-4-12(17)11(7-10)16(18,19)20;1-9-10(2)24-14(21-9)13-6-7-20-15(23-13)22-12-5-3-4-11(8-12)16(17,18)19/h3-7H,1-2H3,(H,21,23,24);3-8H,1-2H3,(H,20,22,23)
InChIKeyAFOGVURHRPHMFJ-UHFFFAOYSA-N
XLogP10.61
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.18
LogP ≤ 510.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-(6-(2-Chloro-4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52941393
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-ethylthiazol-2-amine
CID 52943899
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52947439
2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
CID 66801835
2,6-dichloro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 154954566
4-chloro-2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 154954574
N-[5-chloro-2-fluoro-3-[2-(5-fluoro-3-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzenesulfonamide
CID 154954576
3-chloro-2,6-difluoro-N-[2-fluoro-3-[2-(5-fluoro-2-pyridinyl)-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 154954577
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(5-chloro-3-pyridinyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 154958238
4-{2-[(3,4-Dichlorophenyl)(methyl)amino]-4-methyl-1,3-thiazol-5-yl}-N-(3-methylphenyl)pyrimidin-2-amine
CID 54765909
N-(3-chloro-4-fluorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 56654506
N-(3-chloro-4-fluorophenyl)-N,4-dimethyl-5-[2-(2-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 56654507

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 157099121) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is Cc1nc(-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)sc1C.Cc1nc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)sc1C.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is AFOGVURHRPHMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4S.C16H13F3N4S/c1-8-9(2)25-14(22-8)13-5-6-21-15(24-13)23-10-3-4-12(17)11(7-10)16(18,19)20;1-9-10(2)24-14(21-9)13-6-7-20-15(23-13)22-12-5-3-4-11(8-12)16(17,18)19/h3-7H,1-2H3,(H,21,23,24);3-8H,1-2H3,(H,20,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 735.18 g/mol, XLogP of 10.61, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 157099121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).