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

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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).