6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C17H19F3N4O — CID 109361683

IUPAC6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc(C)n1
InChIInChI=1S/C17H19F3N4O/c1-3-4-9-21-15-10-14(22-11(2)23-15)16(25)24-13-7-5-12(6-8-13)17(18,19)20/h5-8,10H,3-4,9H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyGSDNESACJGERLR-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.27
Rot. Bonds6

About 6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109361683) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109361683
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc(C)n1
InChIInChI=1S/C17H19F3N4O/c1-3-4-9-21-15-10-14(22-11(2)23-15)16(25)24-13-7-5-12(6-8-13)17(18,19)20/h5-8,10H,3-4,9H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyGSDNESACJGERLR-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109366110
6-(butylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 109361692
N-(4-bromophenyl)-6-(butylamino)-2-methylpyrimidine-4-carboxamide
CID 109361668
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
2-methyl-6-(4-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112848375
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360128
2-methyl-6-(pentylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112846753
6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109362417
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125420
N-(4-tert-butylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361268

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109361683) is 6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is CCCCNc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc(C)n1.
What is the InChIKey of 6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is GSDNESACJGERLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-3-4-9-21-15-10-14(22-11(2)23-15)16(25)24-13-7-5-12(6-8-13)17(18,19)20/h5-8,10H,3-4,9H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109361683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).