6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

C16H17F3N4O — CID 109321174

IUPAC6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)nc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C16H17F3N4O/c1-8(2)7-20-15(24)12-6-9(3)21-16(23-12)22-11-5-4-10(17)13(18)14(11)19/h4-6,8H,7H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyWEZSJQXHDOIKMA-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.33
Rot. Bonds5

About 6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109321174) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
PubChem CID109321174
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)nc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C16H17F3N4O/c1-8(2)7-20-15(24)12-6-9(3)21-16(23-12)22-11-5-4-10(17)13(18)14(11)19/h4-6,8H,7H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyWEZSJQXHDOIKMA-UHFFFAOYSA-N
XLogP3.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.33
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

2-(2-bromoanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321144
N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109336831
2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321165
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
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
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321011
6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carbothioamide
CID 107546277
N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109328414
2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109336125
2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333289
6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109338228

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (CID 109321174) is 6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCC(C)C)nc(Nc2ccc(F)c(F)c2F)n1.
What is the InChIKey of 6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is WEZSJQXHDOIKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-8(2)7-20-15(24)12-6-9(3)21-16(23-12)22-11-5-4-10(17)13(18)14(11)19/h4-6,8H,7H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109321174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).