2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide

C12H13F3N6O — CID 170574561

IUPAC2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCCc1nc(Nc2ccn(C)n2)c(C(F)(F)F)c(C(N)=O)n1
InChIInChI=1S/C12H13F3N6O/c1-3-6-17-9(10(16)22)8(12(13,14)15)11(18-6)19-7-4-5-21(2)20-7/h4-5H,3H2,1-2H3,(H2,16,22)(H,17,18,19,20)
InChIKeyWEMAUOGLJYXAIK-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.63
Rot. Bonds4

About 2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide

2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 170574561) has the molecular formula C12H13F3N6O and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID170574561
Molecular FormulaC12H13F3N6O
Molecular Weight314.27 g/mol
Exact Mass314.11
IUPAC Name2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCCc1nc(Nc2ccn(C)n2)c(C(F)(F)F)c(C(N)=O)n1
InChIInChI=1S/C12H13F3N6O/c1-3-6-17-9(10(16)22)8(12(13,14)15)11(18-6)19-7-4-5-21(2)20-7/h4-5H,3H2,1-2H3,(H2,16,22)(H,17,18,19,20)
InChIKeyWEMAUOGLJYXAIK-UHFFFAOYSA-N
XLogP1.63
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide (CID 170574561) is 2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide is CCc1nc(Nc2ccn(C)n2)c(C(F)(F)F)c(C(N)=O)n1.
What is the InChIKey of 2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is WEMAUOGLJYXAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6O/c1-3-6-17-9(10(16)22)8(12(13,14)15)11(18-6)19-7-4-5-21(2)20-7/h4-5H,3H2,1-2H3,(H2,16,22)(H,17,18,19,20).
What are the key properties of 2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide?
2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(1-methylpyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170574561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).