6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide

C8H9F3N4O — CID 90798205

IUPAC6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CC(F)(F)F)c1cc(C(N)=O)ncn1
InChIInChI=1S/C8H9F3N4O/c1-15(3-8(9,10)11)6-2-5(7(12)16)13-4-14-6/h2,4H,3H2,1H3,(H2,12,16)
InChIKeyKLPDQCPBOVWONM-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.57
Rot. Bonds3

About 6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide

6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide (PubChem CID 90798205) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is 6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide
PubChem CID90798205
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CC(F)(F)F)c1cc(C(N)=O)ncn1
InChIInChI=1S/C8H9F3N4O/c1-15(3-8(9,10)11)6-2-5(7(12)16)13-4-14-6/h2,4H,3H2,1H3,(H2,12,16)
InChIKeyKLPDQCPBOVWONM-UHFFFAOYSA-N
XLogP0.57
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of 6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide (CID 90798205) is 6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide is CN(CC(F)(F)F)c1cc(C(N)=O)ncn1.
What is the InChIKey of 6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is KLPDQCPBOVWONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c1-15(3-8(9,10)11)6-2-5(7(12)16)13-4-14-6/h2,4H,3H2,1H3,(H2,12,16).
What are the key properties of 6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide?
6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 90798205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).