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

C20H17F3N4O — CID 109336125

IUPAC2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2F)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C20H17F3N4O/c1-10-5-4-6-14(12(10)3)26-20-24-11(2)9-16(27-20)19(28)25-15-8-7-13(21)17(22)18(15)23/h4-9H,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyDUXPPHIKLPQRJH-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.82
Rot. Bonds4

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

2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109336125) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID109336125
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2F)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C20H17F3N4O/c1-10-5-4-6-14(12(10)3)26-20-24-11(2)9-16(27-20)19(28)25-15-8-7-13(21)17(22)18(15)23/h4-9H,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyDUXPPHIKLPQRJH-UHFFFAOYSA-N
XLogP4.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109336831
6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109338228
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109338225
N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109337606
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336145
2-(2,6-dichloroanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336824
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109321174
N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321464
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335656
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 109336125) is 2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(F)c2F)nc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is DUXPPHIKLPQRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-10-5-4-6-14(12(10)3)26-20-24-11(2)9-16(27-20)19(28)25-15-8-7-13(21)17(22)18(15)23/h4-9H,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109336125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).