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

C16H19BrN4O — CID 109354342

IUPAC6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C16H19BrN4O/c1-11(2)7-8-18-16(22)14-9-15(20-10-19-14)21-13-5-3-12(17)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyUMWNWFGFJRPCEB-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.76
Rot. Bonds6

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

6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109354342) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109354342
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C16H19BrN4O/c1-11(2)7-8-18-16(22)14-9-15(20-10-19-14)21-13-5-3-12(17)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyUMWNWFGFJRPCEB-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354367
6-(4-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354404
6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354368
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354320
6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346974
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
methyl 4-chloro-3-[[6-(3-methylbutylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109354365
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109354342) is 6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is CC(C)CCNC(=O)c1cc(Nc2ccc(Br)cc2)ncn1.
What is the InChIKey of 6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is UMWNWFGFJRPCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-11(2)7-8-18-16(22)14-9-15(20-10-19-14)21-13-5-3-12(17)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).