N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C12H9F3N4O — CID 102921222

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1cncnc1
InChIInChI=1S/C12H9F3N4O/c13-12(14,15)8-1-2-10(9(16)3-8)19-11(20)7-4-17-6-18-5-7/h1-6H,16H2,(H,19,20)
InChIKeyMQFJINOOTOPOED-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.33
Rot. Bonds2

About N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 102921222) has the molecular formula C12H9F3N4O and a molecular weight of 282.23 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID102921222
Molecular FormulaC12H9F3N4O
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1cncnc1
InChIInChI=1S/C12H9F3N4O/c13-12(14,15)8-1-2-10(9(16)3-8)19-11(20)7-4-17-6-18-5-7/h1-6H,16H2,(H,19,20)
InChIKeyMQFJINOOTOPOED-UHFFFAOYSA-N
XLogP2.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66464357
N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 102921224
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16776129
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222
3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480984
N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908264
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 102921222) is N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is Nc1cc(C(F)(F)F)ccc1NC(=O)c1cncnc1.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is MQFJINOOTOPOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O/c13-12(14,15)8-1-2-10(9(16)3-8)19-11(20)7-4-17-6-18-5-7/h1-6H,16H2,(H,19,20).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 282.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 102921222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).