6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

C13H10F3N3O2 — CID 121167635

IUPAC6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(F)c(F)c2F)ncn1
InChIInChI=1S/C13H10F3N3O2/c1-2-21-10-5-9(17-6-18-10)13(20)19-8-4-3-7(14)11(15)12(8)16/h3-6H,2H2,1H3,(H,19,20)
InChIKeyCSAUIMRUYVLPKR-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.54
Rot. Bonds4

About 6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 121167635) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID121167635
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(F)c(F)c2F)ncn1
InChIInChI=1S/C13H10F3N3O2/c1-2-21-10-5-9(17-6-18-10)13(20)19-8-4-3-7(14)11(15)12(8)16/h3-6H,2H2,1H3,(H,19,20)
InChIKeyCSAUIMRUYVLPKR-UHFFFAOYSA-N
XLogP2.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 91816253
N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
CID 91816313
N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167671
ethyl 2-[(6-ethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167557
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363
6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide
CID 121167574
N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109359088
N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167627
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109216613
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 121167635) is 6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2ccc(F)c(F)c2F)ncn1.
What is the InChIKey of 6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is CSAUIMRUYVLPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-2-21-10-5-9(17-6-18-10)13(20)19-8-4-3-7(14)11(15)12(8)16/h3-6H,2H2,1H3,(H,19,20).
What are the key properties of 6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121167635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).