N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide

C8H5F6N3O — CID 143467103

IUPACN-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C8H5F6N3O/c1-15-5(18)3-2-16-6(8(12,13)14)17-4(3)7(9,10)11/h2H,1H3,(H,15,18)
InChIKeyCJDDPHPQPGEDNT-UHFFFAOYSA-N
MW273.14 g/mol
LogP1.87
Rot. Bonds1

About N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide

N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 143467103) has the molecular formula C8H5F6N3O and a molecular weight of 273.14 g/mol. Its IUPAC name is N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID143467103
Molecular FormulaC8H5F6N3O
Molecular Weight273.14 g/mol
Exact Mass273.03
IUPAC NameN-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C8H5F6N3O/c1-15-5(18)3-2-16-6(8(12,13)14)17-4(3)7(9,10)11/h2H,1H3,(H,15,18)
InChIKeyCJDDPHPQPGEDNT-UHFFFAOYSA-N
XLogP1.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide (CID 143467103) is N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide is CNC(=O)c1cnc(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is CJDDPHPQPGEDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6N3O/c1-15-5(18)3-2-16-6(8(12,13)14)17-4(3)7(9,10)11/h2H,1H3,(H,15,18).
What are the key properties of N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide?
N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 273.14 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 143467103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).