3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

C20H33N5O3 — CID 45100460

IUPAC3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(CCN3CCOCC3)CC2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C20H33N5O3/c26-19-16-18(21-20(27)25(19)17-4-2-1-3-5-17)24-10-8-22(9-11-24)6-7-23-12-14-28-15-13-23/h16-17H,1-15H2,(H,21,27)
InChIKeyFVEZAASPSVHUBX-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.50
Rot. Bonds5

About 3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 45100460) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID45100460
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCN(CCN3CCOCC3)CC2)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C20H33N5O3/c26-19-16-18(21-20(27)25(19)17-4-2-1-3-5-17)24-10-8-22(9-11-24)6-7-23-12-14-28-15-13-23/h16-17H,1-15H2,(H,21,27)
InChIKeyFVEZAASPSVHUBX-UHFFFAOYSA-N
XLogP0.50
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-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-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (CID 45100460) is 3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is O=c1cc(N2CCN(CCN3CCOCC3)CC2)[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is FVEZAASPSVHUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c26-19-16-18(21-20(27)25(19)17-4-2-1-3-5-17)24-10-8-22(9-11-24)6-7-23-12-14-28-15-13-23/h16-17H,1-15H2,(H,21,27).
What are the key properties of 3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 391.52 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 45100460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).