4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide

C8H8ClF3N4O — CID 177214620

IUPAC4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(Cl)nc(C(F)(F)F)nc1NC
InChIInChI=1S/C8H8ClF3N4O/c1-13-5-3(6(17)14-2)4(9)15-7(16-5)8(10,11)12/h1-2H3,(H,14,17)(H,13,15,16)
InChIKeyRLZUJVULNNGDME-UHFFFAOYSA-N
MW268.63 g/mol
LogP1.55
Rot. Bonds2

About 4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide

4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 177214620) has the molecular formula C8H8ClF3N4O and a molecular weight of 268.63 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID177214620
Molecular FormulaC8H8ClF3N4O
Molecular Weight268.63 g/mol
Exact Mass268.03
IUPAC Name4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(Cl)nc(C(F)(F)F)nc1NC
InChIInChI=1S/C8H8ClF3N4O/c1-13-5-3(6(17)14-2)4(9)15-7(16-5)8(10,11)12/h1-2H3,(H,14,17)(H,13,15,16)
InChIKeyRLZUJVULNNGDME-UHFFFAOYSA-N
XLogP1.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.63
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 177214620) is 4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide is CNC(=O)c1c(Cl)nc(C(F)(F)F)nc1NC.
What is the InChIKey of 4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is RLZUJVULNNGDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N4O/c1-13-5-3(6(17)14-2)4(9)15-7(16-5)8(10,11)12/h1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of 4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 268.63 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(methylamino)-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 177214620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).