4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide

C12H13BrN4O — CID 43411301

IUPAC4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Br)cn2C)n1
InChIInChI=1S/C12H13BrN4O/c1-7-4-8(2)15-12(14-7)16-11(18)10-5-9(13)6-17(10)3/h4-6H,1-3H3,(H,14,15,16,18)
InChIKeyZSUUOSBDQACVNK-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.45
Rot. Bonds2

About 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 43411301) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID43411301
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Br)cn2C)n1
InChIInChI=1S/C12H13BrN4O/c1-7-4-8(2)15-12(14-7)16-11(18)10-5-9(13)6-17(10)3/h4-6H,1-3H3,(H,14,15,16,18)
InChIKeyZSUUOSBDQACVNK-UHFFFAOYSA-N
XLogP2.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide
CID 43640717
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60698314
4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 114051091
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
4-bromo-1-methyl-N-(1,2-oxazol-4-yl)pyrrole-2-carboxamide
CID 62903304
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067
4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
CID 43410998
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60934499

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide (CID 43411301) is 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(Br)cn2C)n1.
What is the InChIKey of 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is ZSUUOSBDQACVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-7-4-8(2)15-12(14-7)16-11(18)10-5-9(13)6-17(10)3/h4-6H,1-3H3,(H,14,15,16,18).
What are the key properties of 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43411301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).