2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide

C11H12N4O — CID 112524122

IUPAC2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide
SMILESCc1cc(CC(=O)Nc2cncnc2)c[nH]1
InChIInChI=1S/C11H12N4O/c1-8-2-9(4-14-8)3-11(16)15-10-5-12-7-13-6-10/h2,4-7,14H,3H2,1H3,(H,15,16)
InChIKeyBSCDWWADJKOZNL-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.29
Rot. Bonds3

About 2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide

2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide (PubChem CID 112524122) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide
PubChem CID112524122
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide
SMILESCc1cc(CC(=O)Nc2cncnc2)c[nH]1
InChIInChI=1S/C11H12N4O/c1-8-2-9(4-14-8)3-11(16)15-10-5-12-7-13-6-10/h2,4-7,14H,3H2,1H3,(H,15,16)
InChIKeyBSCDWWADJKOZNL-UHFFFAOYSA-N
XLogP1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide?
The IUPAC name of 2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide (CID 112524122) is 2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide?
The canonical SMILES for 2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide is Cc1cc(CC(=O)Nc2cncnc2)c[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide?
The InChIKey is BSCDWWADJKOZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-2-9(4-14-8)3-11(16)15-10-5-12-7-13-6-10/h2,4-7,14H,3H2,1H3,(H,15,16).
What are the key properties of 2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide?
2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide has a molecular weight of 216.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrrol-3-yl)-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 112524122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).