3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

C12H19N3O2 — CID 6623929

IUPAC3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(N2CCC(C)CC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-3-15-11(16)8-10(13-12(15)17)14-6-4-9(2)5-7-14/h8-9H,3-7H2,1-2H3,(H,13,17)
InChIKeyUXESHFIWHSGPGV-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.79
Rot. Bonds2

About 3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 6623929) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID6623929
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(N2CCC(C)CC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-3-15-11(16)8-10(13-12(15)17)14-6-4-9(2)5-7-14/h8-9H,3-7H2,1-2H3,(H,13,17)
InChIKeyUXESHFIWHSGPGV-UHFFFAOYSA-N
XLogP0.79
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (CID 6623929) is 3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(N2CCC(C)CC2)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is UXESHFIWHSGPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15-11(16)8-10(13-12(15)17)14-6-4-9(2)5-7-14/h8-9H,3-7H2,1-2H3,(H,13,17).
What are the key properties of 3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 6623929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).