N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide

C18H23BrN4O — CID 112846561

IUPACN-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCCC(C)C)nc(C)n2)c(Br)c1
InChIInChI=1S/C18H23BrN4O/c1-11(2)7-8-20-17-10-16(21-13(4)22-17)18(24)23-15-6-5-12(3)9-14(15)19/h5-6,9-11H,7-8H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyQJWHMIPGHMWTHQ-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.57
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide

N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 112846561) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID112846561
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC NameN-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCCC(C)C)nc(C)n2)c(Br)c1
InChIInChI=1S/C18H23BrN4O/c1-11(2)7-8-20-17-10-16(21-13(4)22-17)18(24)23-15-6-5-12(3)9-14(15)19/h5-6,9-11H,7-8H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyQJWHMIPGHMWTHQ-UHFFFAOYSA-N
XLogP4.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846543
2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 112846570
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846579
N-(4-bromo-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362090
N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846528
N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239243
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686
N-(2,5-dimethylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361253
N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362045
N-(2-bromo-4-methylphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354489
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366304

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 112846561) is N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NCCC(C)C)nc(C)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is QJWHMIPGHMWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-11(2)7-8-20-17-10-16(21-13(4)22-17)18(24)23-15-6-5-12(3)9-14(15)19/h5-6,9-11H,7-8H2,1-4H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 391.31 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).