N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C19H14F4N4O — CID 109256968

IUPACN-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C19H14F4N4O/c20-16-7-2-1-4-12(16)9-24-17(28)13-10-25-18(26-11-13)27-15-6-3-5-14(8-15)19(21,22)23/h1-8,10-11H,9H2,(H,24,28)(H,25,26,27)
InChIKeyGIPQUHLNYSJUGA-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.31
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 109256968) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID109256968
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C19H14F4N4O/c20-16-7-2-1-4-12(16)9-24-17(28)13-10-25-18(26-11-13)27-15-6-3-5-14(8-15)19(21,22)23/h1-8,10-11H,9H2,(H,24,28)(H,25,26,27)
InChIKeyGIPQUHLNYSJUGA-UHFFFAOYSA-N
XLogP4.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256972
N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251795
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268482
N-[(2-fluorophenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109256979
2-(4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109268891
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
N-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109266873
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 109256968) is N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is O=C(NCc1ccccc1F)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is GIPQUHLNYSJUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c20-16-7-2-1-4-12(16)9-24-17(28)13-10-25-18(26-11-13)27-15-6-3-5-14(8-15)19(21,22)23/h1-8,10-11H,9H2,(H,24,28)(H,25,26,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).