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

C11H11ClF3N5S — CID 138482855

IUPAC2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2sc(C)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C11H11ClF3N5S/c1-3-16-8-6(11(13,14)15)4-17-10(19-8)20-9-7(12)18-5(2)21-9/h4H,3H2,1-2H3,(H2,16,17,19,20)
InChIKeyKSPRPKOQUDZCCC-UHFFFAOYSA-N
MW337.76 g/mol
LogP4.09
Rot. Bonds4

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

2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 138482855) has the molecular formula C11H11ClF3N5S and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID138482855
Molecular FormulaC11H11ClF3N5S
Molecular Weight337.76 g/mol
Exact Mass337.04
IUPAC Name2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2sc(C)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C11H11ClF3N5S/c1-3-16-8-6(11(13,14)15)4-17-10(19-8)20-9-7(12)18-5(2)21-9/h4H,3H2,1-2H3,(H2,16,17,19,20)
InChIKeyKSPRPKOQUDZCCC-UHFFFAOYSA-N
XLogP4.09
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 54.09
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-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 138482855) is 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-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-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(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-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is KSPRPKOQUDZCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5S/c1-3-16-8-6(11(13,14)15)4-17-10(19-8)20-9-7(12)18-5(2)21-9/h4H,3H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 337.76 g/mol, XLogP of 4.09, 4 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-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 138482855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).