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

C16H17F3N4O — CID 109362686

IUPACN-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(F)c(F)c2F)nc(C)n1
InChIInChI=1S/C16H17F3N4O/c1-4-8(2)20-16(24)12-7-13(22-9(3)21-12)23-11-6-5-10(17)14(18)15(11)19/h5-8H,4H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyBJLNLGYEBXMCCF-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.47
Rot. Bonds5

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

N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109362686) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
PubChem CID109362686
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(F)c(F)c2F)nc(C)n1
InChIInChI=1S/C16H17F3N4O/c1-4-8(2)20-16(24)12-7-13(22-9(3)21-12)23-11-6-5-10(17)14(18)15(11)19/h5-8H,4H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyBJLNLGYEBXMCCF-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 112849470
N-butan-2-yl-6-(5-chloro-2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362620
N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109362634
N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362604
N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109203420
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
6-(3,4-difluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851218
N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362633
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109362538
N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362679
(2-ethylpiperidin-1-yl)-[2-methyl-6-(2,3,4-trifluoroanilino)pyrimidin-4-yl]methanone
CID 112847284

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (CID 109362686) is N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccc(F)c(F)c2F)nc(C)n1.
What is the InChIKey of N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is BJLNLGYEBXMCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-4-8(2)20-16(24)12-7-13(22-9(3)21-12)23-11-6-5-10(17)14(18)15(11)19/h5-8H,4H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109362686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).