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

C18H21F3N4O — CID 109333587

IUPAC2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H21F3N4O/c1-4-5-10-25(3)17-22-12(2)11-15(24-17)16(26)23-14-8-6-13(7-9-14)18(19,20)21/h6-9,11H,4-5,10H2,1-3H3,(H,23,26)
InChIKeyGNGZGRXBRBYZMK-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.29
Rot. Bonds6

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

2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109333587) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109333587
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H21F3N4O/c1-4-5-10-25(3)17-22-12(2)11-15(24-17)16(26)23-14-8-6-13(7-9-14)18(19,20)21/h6-9,11H,4-5,10H2,1-3H3,(H,23,26)
InChIKeyGNGZGRXBRBYZMK-UHFFFAOYSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607
2-[3-(dimethylamino)propylamino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109325516
N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109332729
6-methyl-2-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109320171
2-(butan-2-ylamino)-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321315
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333574
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312928
6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109361683
N-butan-2-yl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109321443
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109333628

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109333587) is 2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is CCCCN(C)c1nc(C)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is GNGZGRXBRBYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-4-5-10-25(3)17-22-12(2)11-15(24-17)16(26)23-14-8-6-13(7-9-14)18(19,20)21/h6-9,11H,4-5,10H2,1-3H3,(H,23,26).
What are the key properties of 2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109333587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).