2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C16H17F3N4O — CID 109297217

IUPAC2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCC(C)Nc1nccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N4O/c1-3-10(2)21-15-20-8-7-13(23-15)14(24)22-12-6-4-5-11(9-12)16(17,18)19/h4-10H,3H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyHFLYBTKZQGGASQ-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.96
Rot. Bonds5

About 2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109297217) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109297217
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCC(C)Nc1nccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N4O/c1-3-10(2)21-15-20-8-7-13(23-15)14(24)22-12-6-4-5-11(9-12)16(17,18)19/h4-10H,3H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyHFLYBTKZQGGASQ-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297252
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249147
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109315551
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109297024
2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109297207
2-(butan-2-ylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109297209
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369
2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67508804
2-(butan-2-ylamino)-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321315
2-(butan-2-ylamino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109297162

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109297217) is 2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is CCC(C)Nc1nccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is HFLYBTKZQGGASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-3-10(2)21-15-20-8-7-13(23-15)14(24)22-12-6-4-5-11(9-12)16(17,18)19/h4-10H,3H2,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109297217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).