6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

C11H10ClF3N4S — CID 106767901

IUPAC6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1csc(C(C)Nc2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H10ClF3N4S/c1-5-4-20-9(16-5)6(2)17-8-3-7(12)18-10(19-8)11(13,14)15/h3-4,6H,1-2H3,(H,17,18,19)
InChIKeyKUVONAQAGKABCD-UHFFFAOYSA-N
MW322.74 g/mol
LogP4.09
Rot. Bonds3

About 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767901) has the molecular formula C11H10ClF3N4S and a molecular weight of 322.74 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767901
Molecular FormulaC11H10ClF3N4S
Molecular Weight322.74 g/mol
Exact Mass322.03
IUPAC Name6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1csc(C(C)Nc2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H10ClF3N4S/c1-5-4-20-9(16-5)6(2)17-8-3-7(12)18-10(19-8)11(13,14)15/h3-4,6H,1-2H3,(H,17,18,19)
InChIKeyKUVONAQAGKABCD-UHFFFAOYSA-N
XLogP4.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304986
2-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565229
6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766912
2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756779
6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 114168059
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715652
6-N,2-diethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80942180
1-(2,5-dichlorothiophen-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 113261082
2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
CID 114767732
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63091595
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide
CID 106768277
4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975958

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767901) is 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is Cc1csc(C(C)Nc2cc(Cl)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KUVONAQAGKABCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4S/c1-5-4-20-9(16-5)6(2)17-8-3-7(12)18-10(19-8)11(13,14)15/h3-4,6H,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 322.74 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).