2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide

C17H21BrN4O — CID 109263948

IUPAC2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(Br)c(C)c2)nc1
InChIInChI=1S/C17H21BrN4O/c1-4-5-8-22(3)16(23)13-10-19-17(20-11-13)21-14-6-7-15(18)12(2)9-14/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20,21)
InChIKeyZVVBEORVQZHZNF-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.16
Rot. Bonds6

About 2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide

2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide (PubChem CID 109263948) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide
PubChem CID109263948
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(Br)c(C)c2)nc1
InChIInChI=1S/C17H21BrN4O/c1-4-5-8-22(3)16(23)13-10-19-17(20-11-13)21-14-6-7-15(18)12(2)9-14/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20,21)
InChIKeyZVVBEORVQZHZNF-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylamino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263949
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109263930
N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263901
N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263915
N-butyl-2-(3-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263900
2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251455
N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109263888
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
2-(3-bromo-4-methylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333683
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866
N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333654
2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide (CID 109263948) is 2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2ccc(Br)c(C)c2)nc1.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide?
The InChIKey is ZVVBEORVQZHZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-4-5-8-22(3)16(23)13-10-19-17(20-11-13)21-14-6-7-15(18)12(2)9-14/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide?
2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 109263948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).