5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione

C10H11N3O2 — CID 20668497

IUPAC5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCc1c(Cn2cccc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O2/c1-7-8(6-13-4-2-3-5-13)11-10(15)12-9(7)14/h2-5H,6H2,1H3,(H2,11,12,14,15)
InChIKeyPJSRJCLJXVCKDT-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.22
Rot. Bonds2

About 5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione

5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 20668497) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID20668497
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCc1c(Cn2cccc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O2/c1-7-8(6-13-4-2-3-5-13)11-10(15)12-9(7)14/h2-5H,6H2,1H3,(H2,11,12,14,15)
InChIKeyPJSRJCLJXVCKDT-UHFFFAOYSA-N
XLogP0.22
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione (CID 20668497) is 5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione is Cc1c(Cn2cccc2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is PJSRJCLJXVCKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-8(6-13-4-2-3-5-13)11-10(15)12-9(7)14/h2-5H,6H2,1H3,(H2,11,12,14,15).
What are the key properties of 5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione?
5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(pyrrol-1-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 20668497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).