6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C17H21BrN4O — CID 112846670

IUPAC6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Br)c2)cc(C(=O)NCCC(C)C)n1
InChIInChI=1S/C17H21BrN4O/c1-11(2)7-8-19-17(23)15-10-16(21-12(3)20-15)22-14-6-4-5-13(18)9-14/h4-6,9-11H,7-8H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyZCZQLAHONMDDDP-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.07
Rot. Bonds6

About 6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 112846670) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID112846670
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Br)c2)cc(C(=O)NCCC(C)C)n1
InChIInChI=1S/C17H21BrN4O/c1-11(2)7-8-19-17(23)15-10-16(21-12(3)20-15)22-14-6-4-5-13(18)9-14/h4-6,9-11H,7-8H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyZCZQLAHONMDDDP-UHFFFAOYSA-N
XLogP4.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846602
6-(2,6-difluoroanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846697
6-(4-acetylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846653
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373487
6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846634
6-(4-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362242
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360365
methyl 3-[[6-(3-methoxypropylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 109365289
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686
6-(4-bromoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846850

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 112846670) is 6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1nc(Nc2cccc(Br)c2)cc(C(=O)NCCC(C)C)n1.
What is the InChIKey of 6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is ZCZQLAHONMDDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-11(2)7-8-19-17(23)15-10-16(21-12(3)20-15)22-14-6-4-5-13(18)9-14/h4-6,9-11H,7-8H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).