5-piperidin-3-yl-1H-pyrimidine-2,4-dione

C9H13N3O2 — CID 115020166

IUPAC5-piperidin-3-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C2CCCNC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-7(5-11-9(14)12-8)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H2,11,12,13,14)
InChIKeyBXQWKMUXLCPBOI-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.47
Rot. Bonds1

About 5-piperidin-3-yl-1H-pyrimidine-2,4-dione

5-piperidin-3-yl-1H-pyrimidine-2,4-dione (PubChem CID 115020166) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-piperidin-3-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-piperidin-3-yl-1H-pyrimidine-2,4-dione
PubChem CID115020166
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-piperidin-3-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C2CCCNC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-7(5-11-9(14)12-8)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H2,11,12,13,14)
InChIKeyBXQWKMUXLCPBOI-UHFFFAOYSA-N
XLogP-0.47
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-piperidin-3-yl-1H-pyrimidine-2,4-dione (CID 115020166) is 5-piperidin-3-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-piperidin-3-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-piperidin-3-yl-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C2CCCNC2)c(=O)[nH]1.
What is the InChIKey of 5-piperidin-3-yl-1H-pyrimidine-2,4-dione?
The InChIKey is BXQWKMUXLCPBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-7(5-11-9(14)12-8)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H2,11,12,13,14).
What are the key properties of 5-piperidin-3-yl-1H-pyrimidine-2,4-dione?
5-piperidin-3-yl-1H-pyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 115020166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).