N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide

C9H10F3N3O2 — CID 141257621

IUPACN-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCN(CCO)C(=O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H10F3N3O2/c1-15(2-3-16)7(17)6-4-13-8(14-5-6)9(10,11)12/h4-5,16H,2-3H2,1H3
InChIKeyUSTIJEWBJOQTCN-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.56
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide

N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 141257621) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID141257621
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCN(CCO)C(=O)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H10F3N3O2/c1-15(2-3-16)7(17)6-4-13-8(14-5-6)9(10,11)12/h4-5,16H,2-3H2,1H3
InChIKeyUSTIJEWBJOQTCN-UHFFFAOYSA-N
XLogP0.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 141257621) is N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide is CN(CCO)C(=O)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is USTIJEWBJOQTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-15(2-3-16)7(17)6-4-13-8(14-5-6)9(10,11)12/h4-5,16H,2-3H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 249.19 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 141257621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).