2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C10H9ClF3N5S — CID 138482853

IUPAC2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2sc(C)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H9ClF3N5S/c1-4-17-6(11)8(20-4)19-9-16-3-5(10(12,13)14)7(15-2)18-9/h3H,1-2H3,(H2,15,16,18,19)
InChIKeyXXVSNYVMUWQDDV-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.70
Rot. Bonds3

About 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 138482853) has the molecular formula C10H9ClF3N5S and a molecular weight of 323.73 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID138482853
Molecular FormulaC10H9ClF3N5S
Molecular Weight323.73 g/mol
Exact Mass323.02
IUPAC Name2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2sc(C)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H9ClF3N5S/c1-4-17-6(11)8(20-4)19-9-16-3-5(10(12,13)14)7(15-2)18-9/h3H,1-2H3,(H2,15,16,18,19)
InChIKeyXXVSNYVMUWQDDV-UHFFFAOYSA-N
XLogP3.70
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 138482853) is 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2sc(C)nc2Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XXVSNYVMUWQDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5S/c1-4-17-6(11)8(20-4)19-9-16-3-5(10(12,13)14)7(15-2)18-9/h3H,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 323.73 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 138482853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).