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

C10H11ClF3N3O2 — CID 114219499

IUPAC2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(CCO)CC(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H11ClF3N3O2/c1-6-4-7(16-9(11)15-6)8(19)17(2-3-18)5-10(12,13)14/h4,18H,2-3,5H2,1H3
InChIKeyPHBPTOFUICGGEZ-UHFFFAOYSA-N
MW297.66 g/mol
LogP1.44
Rot. Bonds4

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

2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 114219499) has the molecular formula C10H11ClF3N3O2 and a molecular weight of 297.66 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID114219499
Molecular FormulaC10H11ClF3N3O2
Molecular Weight297.66 g/mol
Exact Mass297.05
IUPAC Name2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(CCO)CC(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H11ClF3N3O2/c1-6-4-7(16-9(11)15-6)8(19)17(2-3-18)5-10(12,13)14/h4,18H,2-3,5H2,1H3
InChIKeyPHBPTOFUICGGEZ-UHFFFAOYSA-N
XLogP1.44
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 114219499) is 2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)N(CCO)CC(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is PHBPTOFUICGGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2/c1-6-4-7(16-9(11)15-6)8(19)17(2-3-18)5-10(12,13)14/h4,18H,2-3,5H2,1H3.
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 297.66 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 114219499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).