3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea

C17H28N4O2 — CID 90634997

IUPAC3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-5-21(6-2)17(22)20-14-7-9-15(10-8-14)23-16-18-12(3)11-13(4)19-16/h11,14-15H,5-10H2,1-4H3,(H,20,22)
InChIKeyZGYRZJQKFOSUBU-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.83
Rot. Bonds5

About 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea

3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea (PubChem CID 90634997) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
PubChem CID90634997
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-5-21(6-2)17(22)20-14-7-9-15(10-8-14)23-16-18-12(3)11-13(4)19-16/h11,14-15H,5-10H2,1-4H3,(H,20,22)
InChIKeyZGYRZJQKFOSUBU-UHFFFAOYSA-N
XLogP2.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea 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-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea?
The IUPAC name of 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea (CID 90634997) is 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea.
What is the SMILES notation for 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea?
The canonical SMILES for 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea is CCN(CC)C(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1.
What is the InChIKey of 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea?
The InChIKey is ZGYRZJQKFOSUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-21(6-2)17(22)20-14-7-9-15(10-8-14)23-16-18-12(3)11-13(4)19-16/h11,14-15H,5-10H2,1-4H3,(H,20,22).
What are the key properties of 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea?
3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea has a molecular weight of 320.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea is sourced from PubChem (CID 90634997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).