3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione

C11H17N3O2 — CID 3235577

IUPAC3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-2-14-10(15)8-9(12-11(14)16)13-6-4-3-5-7-13/h8H,2-7H2,1H3,(H,12,16)
InChIKeyBRSXIMWCWJEAGZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds2

About 3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione

3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione (PubChem CID 3235577) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
PubChem CID3235577
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-2-14-10(15)8-9(12-11(14)16)13-6-4-3-5-7-13/h8H,2-7H2,1H3,(H,12,16)
InChIKeyBRSXIMWCWJEAGZ-UHFFFAOYSA-N
XLogP0.55
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione (CID 3235577) is 3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(N2CCCCC2)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione?
The InChIKey is BRSXIMWCWJEAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-10(15)8-9(12-11(14)16)13-6-4-3-5-7-13/h8H,2-7H2,1H3,(H,12,16).
What are the key properties of 3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione?
3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3235577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).