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

C11H11N3O2 — CID 83956057

IUPAC6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1ccncc1
InChIInChI=1S/C11H11N3O2/c1-7-9(10(15)14-11(16)13-7)6-8-2-4-12-5-3-8/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyDNMXZVVJZAPEJT-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.36
Rot. Bonds2

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

6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 83956057) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID83956057
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1ccncc1
InChIInChI=1S/C11H11N3O2/c1-7-9(10(15)14-11(16)13-7)6-8-2-4-12-5-3-8/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyDNMXZVVJZAPEJT-UHFFFAOYSA-N
XLogP0.36
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione (CID 83956057) is 6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1Cc1ccncc1.
What is the InChIKey of 6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is DNMXZVVJZAPEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-9(10(15)14-11(16)13-7)6-8-2-4-12-5-3-8/h2-5H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 217.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83956057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).