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

C8H7ClF3N3O — CID 162574364

IUPAC2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H7ClF3N3O/c1-4-2-5(15-7(9)14-4)6(16)13-3-8(10,11)12/h2H,3H2,1H3,(H,13,16)
InChIKeyMMEFIDIXHQDNMT-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.73
Rot. Bonds2

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

2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 162574364) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID162574364
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC Name2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H7ClF3N3O/c1-4-2-5(15-7(9)14-4)6(16)13-3-8(10,11)12/h2H,3H2,1H3,(H,13,16)
InChIKeyMMEFIDIXHQDNMT-UHFFFAOYSA-N
XLogP1.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide
CID 114219727
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide
CID 114219723
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide
CID 114219602
2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 114219521
N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide
CID 114219515
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976
2-chloro-6-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 114219584
2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219588

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 162574364) is 2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCC(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is MMEFIDIXHQDNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c1-4-2-5(15-7(9)14-4)6(16)13-3-8(10,11)12/h2H,3H2,1H3,(H,13,16).
What are the key properties of 2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 253.61 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 162574364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).