4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole

C57H69ClF20N16O2S3 — CID 157390363

IUPAC4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole
SMILESCS(=O)(=O)c1nc(NC2CCC(F)(F)CC2)cc(C(F)(F)F)n1.CSc1nc(Cl)cc(C(F)(F)F)n1.CSc1nc(NC2CCC(F)(F)CC2)cc(C(F)(F)F)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C(F)(F)F)n2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C16H18F5N5.C12H14F5N3O2S.C12H14F5N3S.C6H4ClF3N2S.C6H11F2N.C5H8N2/c1-9-7-10(2)26(25-9)14-23-12(16(19,20)21)8-13(24-14)22-11-3-5-15(17,18)6-4-11;1-23(21,22)10-19-8(12(15,16)17)6-9(20-10)18-7-2-4-11(13,14)5-3-7;1-21-10-19-8(12(15,16)17)6-9(20-10)18-7-2-4-11(13,14)5-3-7;1-13-5-11-3(6(8,9)10)2-4(7)12-5;7-6(8)3-1-5(9)2-4-6;1-4-3-5(2)7-6-4/h7-8,11H,3-6H2,1-2H3,(H,22,23,24);6-7H,2-5H2,1H3,(H,18,19,20);6-7H,2-5H2,1H3,(H,18,19,20);2H,1H3;5H,1-4,9H2;3H,1-2H3,(H,6,7)
InChIKeyBLXXAMQWAILKOL-UHFFFAOYSA-N
MW1521.90 g/mol
LogP16.80
Rot. Bonds10

About 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole

4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole (PubChem CID 157390363) has the molecular formula C57H69ClF20N16O2S3 and a molecular weight of 1521.90 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole
PubChem CID157390363
Molecular FormulaC57H69ClF20N16O2S3
Molecular Weight1521.90 g/mol
Exact Mass1520.43
IUPAC Name4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole
SMILESCS(=O)(=O)c1nc(NC2CCC(F)(F)CC2)cc(C(F)(F)F)n1.CSc1nc(Cl)cc(C(F)(F)F)n1.CSc1nc(NC2CCC(F)(F)CC2)cc(C(F)(F)F)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C(F)(F)F)n2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C16H18F5N5.C12H14F5N3O2S.C12H14F5N3S.C6H4ClF3N2S.C6H11F2N.C5H8N2/c1-9-7-10(2)26(25-9)14-23-12(16(19,20)21)8-13(24-14)22-11-3-5-15(17,18)6-4-11;1-23(21,22)10-19-8(12(15,16)17)6-9(20-10)18-7-2-4-11(13,14)5-3-7;1-21-10-19-8(12(15,16)17)6-9(20-10)18-7-2-4-11(13,14)5-3-7;1-13-5-11-3(6(8,9)10)2-4(7)12-5;7-6(8)3-1-5(9)2-4-6;1-4-3-5(2)7-6-4/h7-8,11H,3-6H2,1-2H3,(H,22,23,24);6-7H,2-5H2,1H3,(H,18,19,20);6-7H,2-5H2,1H3,(H,18,19,20);2H,1H3;5H,1-4,9H2;3H,1-2H3,(H,6,7)
InChIKeyBLXXAMQWAILKOL-UHFFFAOYSA-N
XLogP16.80
TPSA245.87 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.90
LogP ≤ 516.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazin-1-yl]ethanone;1-piperidin-1-ylethanone
CID 159058826
4-chloro-6-methyl-2-methylsulfanylpyrimidine;3,3-difluorocyclopentan-1-amine;N-(3,3-difluorocyclopentyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;N-(3,3-difluorocyclopentyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine;N-(3,3-difluorocyclopentyl)-6-methyl-2-methylsulfonylpyrimidin-4-amine;3,5-dimethyl-1H-pyrazole
CID 160108688
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole
CID 160512773
4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole
CID 160975634
2-Aminopropanamide;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;2-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]amino]propanamide
CID 161066110

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole (CID 157390363) is 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole is CS(=O)(=O)c1nc(NC2CCC(F)(F)CC2)cc(C(F)(F)F)n1.CSc1nc(Cl)cc(C(F)(F)F)n1.CSc1nc(NC2CCC(F)(F)CC2)cc(C(F)(F)F)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C(F)(F)F)n2)n1.NC1CCC(F)(F)CC1.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole?
The InChIKey is BLXXAMQWAILKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F5N5.C12H14F5N3O2S.C12H14F5N3S.C6H4ClF3N2S.C6H11F2N.C5H8N2/c1-9-7-10(2)26(25-9)14-23-12(16(19,20)21)8-13(24-14)22-11-3-5-15(17,18)6-4-11;1-23(21,22)10-19-8(12(15,16)17)6-9(20-10)18-7-2-4-11(13,14)5-3-7;1-21-10-19-8(12(15,16)17)6-9(20-10)18-7-2-4-11(13,14)5-3-7;1-13-5-11-3(6(8,9)10)2-4(7)12-5;7-6(8)3-1-5(9)2-4-6;1-4-3-5(2)7-6-4/h7-8,11H,3-6H2,1-2H3,(H,22,23,24);6-7H,2-5H2,1H3,(H,18,19,20);6-7H,2-5H2,1H3,(H,18,19,20);2H,1H3;5H,1-4,9H2;3H,1-2H3,(H,6,7).
What are the key properties of 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole?
4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole has a molecular weight of 1521.90 g/mol, XLogP of 16.80, 10 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-amine;3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 157390363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).