2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C11H13ClF3N3O — CID 114219506

IUPAC2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(CC(F)(F)F)C(C)C)nc(Cl)n1
InChIInChI=1S/C11H13ClF3N3O/c1-6(2)18(5-11(13,14)15)9(19)8-4-7(3)16-10(12)17-8/h4,6H,5H2,1-3H3
InChIKeyGMPUHOWFAZBJAG-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.85
Rot. Bonds3

About 2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 114219506) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID114219506
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(CC(F)(F)F)C(C)C)nc(Cl)n1
InChIInChI=1S/C11H13ClF3N3O/c1-6(2)18(5-11(13,14)15)9(19)8-4-7(3)16-10(12)17-8/h4,6H,5H2,1-3H3
InChIKeyGMPUHOWFAZBJAG-UHFFFAOYSA-N
XLogP2.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 114219506) is 2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)N(CC(F)(F)F)C(C)C)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is GMPUHOWFAZBJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-6(2)18(5-11(13,14)15)9(19)8-4-7(3)16-10(12)17-8/h4,6H,5H2,1-3H3.
What are the key properties of 2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 295.69 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 114219506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).