1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione

C11H11N3O2 — CID 63811231

IUPAC1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCc2ccncc2)c(=O)[nH]1
InChIInChI=1S/C11H11N3O2/c15-10-4-8-14(11(16)13-10)7-3-9-1-5-12-6-2-9/h1-2,4-6,8H,3,7H2,(H,13,15,16)
InChIKeyYDVLYLASKNTMDL-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.17
Rot. Bonds3

About 1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione

1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione (PubChem CID 63811231) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
PubChem CID63811231
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCc2ccncc2)c(=O)[nH]1
InChIInChI=1S/C11H11N3O2/c15-10-4-8-14(11(16)13-10)7-3-9-1-5-12-6-2-9/h1-2,4-6,8H,3,7H2,(H,13,15,16)
InChIKeyYDVLYLASKNTMDL-UHFFFAOYSA-N
XLogP0.17
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione (CID 63811231) is 1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione is O=c1ccn(CCc2ccncc2)c(=O)[nH]1.
What is the InChIKey of 1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The InChIKey is YDVLYLASKNTMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10-4-8-14(11(16)13-10)7-3-9-1-5-12-6-2-9/h1-2,4-6,8H,3,7H2,(H,13,15,16).
What are the key properties of 1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione has a molecular weight of 217.23 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63811231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).