3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

C16H26N4O2 — CID 3571734

IUPAC3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCCN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C16H26N4O2/c1-2-18-8-10-19(11-9-18)14-12-15(21)20(16(22)17-14)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,17,22)
InChIKeyLPOLGRFDIFKGEE-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.18
Rot. Bonds3

About 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 3571734) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID3571734
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCCN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C16H26N4O2/c1-2-18-8-10-19(11-9-18)14-12-15(21)20(16(22)17-14)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,17,22)
InChIKeyLPOLGRFDIFKGEE-UHFFFAOYSA-N
XLogP1.18
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (CID 3571734) is 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is CCN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1.
What is the InChIKey of 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is LPOLGRFDIFKGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-18-8-10-19(11-9-18)14-12-15(21)20(16(22)17-14)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,17,22).
What are the key properties of 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 306.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(4-ethylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3571734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).