N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C16H17F3N4O — CID 109297024

IUPACN-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N4O/c1-10(2)9-21-14(24)13-6-7-20-15(23-13)22-12-5-3-4-11(8-12)16(17,18)19/h3-8,10H,9H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyBHQMCALBGPJGHA-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.62
Rot. Bonds5

About N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109297024) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109297024
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N4O/c1-10(2)9-21-14(24)13-6-7-20-15(23-13)22-12-5-3-4-11(8-12)16(17,18)19/h3-8,10H,9H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyBHQMCALBGPJGHA-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109301970
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297217
2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296984
methyl 4-[[4-(2-methylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297032
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109315551
ethyl 4-[[4-(2-methylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297055
2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296974
4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202996
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369
N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109297037
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
2-(3-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311960

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109297024) is N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is CC(C)CNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is BHQMCALBGPJGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10(2)9-21-14(24)13-6-7-20-15(23-13)22-12-5-3-4-11(8-12)16(17,18)19/h3-8,10H,9H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109297024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).