N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide

C17H21BrN4O — CID 109333607

IUPACN-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C17H21BrN4O/c1-4-5-9-22(3)17-19-12(2)10-15(21-17)16(23)20-14-8-6-7-13(18)11-14/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,23)
InChIKeyZUGDFHGDLBJXBL-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.04
Rot. Bonds6

About N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide

N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109333607) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
PubChem CID109333607
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC NameN-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C17H21BrN4O/c1-4-5-9-22(3)17-19-12(2)10-15(21-17)16(23)20-14-8-6-7-13(18)11-14/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,23)
InChIKeyZUGDFHGDLBJXBL-UHFFFAOYSA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 54.04
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)-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109196108
2-N-(3-bromophenyl)-6-N-butyl-6-N-methylpyridine-2,6-dicarboxamide
CID 109099598
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333574
N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109332729
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109333628
methyl 3-[[2-(dipropylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109334170
N-(3-bromophenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320193
2-N-(3-bromophenyl)-4-N-butyl-4-N-methylpyridine-2,4-dicarboxamide
CID 109090011

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide (CID 109333607) is N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide is CCCCN(C)c1nc(C)cc(C(=O)Nc2cccc(Br)c2)n1.
What is the InChIKey of N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZUGDFHGDLBJXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-4-5-9-22(3)17-19-12(2)10-15(21-17)16(23)20-14-8-6-7-13(18)11-14/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,23).
What are the key properties of N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide?
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).