2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide

C16H14ClF3N4O — CID 109320010

IUPAC2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CC2)nc(Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C16H14ClF3N4O/c1-8-6-13(14(25)22-10-3-4-10)24-15(21-8)23-12-5-2-9(17)7-11(12)16(18,19)20/h2,5-7,10H,3-4H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyNFMJAFIIDCGEST-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.09
Rot. Bonds4

About 2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide

2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109320010) has the molecular formula C16H14ClF3N4O and a molecular weight of 370.76 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
PubChem CID109320010
Molecular FormulaC16H14ClF3N4O
Molecular Weight370.76 g/mol
Exact Mass370.08
IUPAC Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CC2)nc(Nc2ccc(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C16H14ClF3N4O/c1-8-6-13(14(25)22-10-3-4-10)24-15(21-8)23-12-5-2-9(17)7-11(12)16(18,19)20/h2,5-7,10H,3-4H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyNFMJAFIIDCGEST-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332958
N-cyclopropyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319930
N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109332952
5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274799
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853
2-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906982
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide
CID 109295693
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910131
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
CID 109322269
N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319937
2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide
CID 109312178
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide (CID 109320010) is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CC2)nc(Nc2ccc(Cl)cc2C(F)(F)F)n1.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is NFMJAFIIDCGEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O/c1-8-6-13(14(25)22-10-3-4-10)24-15(21-8)23-12-5-2-9(17)7-11(12)16(18,19)20/h2,5-7,10H,3-4H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide?
2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 370.76 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).