6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H15ClF3N3S — CID 106768420

IUPAC6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCSCCC(C)N(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3S/c1-7(4-5-19-3)18(2)9-6-8(12)16-10(17-9)11(13,14)15/h6-7H,4-5H2,1-3H3
InChIKeyDMPNBUFEWVXMNK-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.73
Rot. Bonds5

About 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106768420) has the molecular formula C11H15ClF3N3S and a molecular weight of 313.78 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106768420
Molecular FormulaC11H15ClF3N3S
Molecular Weight313.78 g/mol
Exact Mass313.06
IUPAC Name6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCSCCC(C)N(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15ClF3N3S/c1-7(4-5-19-3)18(2)9-6-8(12)16-10(17-9)11(13,14)15/h6-7H,4-5H2,1-3H3
InChIKeyDMPNBUFEWVXMNK-UHFFFAOYSA-N
XLogP3.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953844
N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine
CID 97325462
4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115744810
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772794
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 106767496
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 106767345
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767719
[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol
CID 107372975
6-chloro-N-methyl-N-(4-methylpentan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80545395
4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768685
N'-hydroxy-2-methyl-6-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 137013656

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106768420) is 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CSCCC(C)N(C)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DMPNBUFEWVXMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3S/c1-7(4-5-19-3)18(2)9-6-8(12)16-10(17-9)11(13,14)15/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 313.78 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106768420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).