1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea

C19H24N4O3 — CID 90633477

IUPAC1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESCCOc1ccc(NC(=O)NC2CCC(Oc3ncccn3)CC2)cc1
InChIInChI=1S/C19H24N4O3/c1-2-25-16-8-4-14(5-9-16)22-18(24)23-15-6-10-17(11-7-15)26-19-20-12-3-13-21-19/h3-5,8-9,12-13,15,17H,2,6-7,10-11H2,1H3,(H2,22,23,24)
InChIKeySSZCKVGNNFDQIV-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.39
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea

1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea (PubChem CID 90633477) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
PubChem CID90633477
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESCCOc1ccc(NC(=O)NC2CCC(Oc3ncccn3)CC2)cc1
InChIInChI=1S/C19H24N4O3/c1-2-25-16-8-4-14(5-9-16)22-18(24)23-15-6-10-17(11-7-15)26-19-20-12-3-13-21-19/h3-5,8-9,12-13,15,17H,2,6-7,10-11H2,1H3,(H2,22,23,24)
InChIKeySSZCKVGNNFDQIV-UHFFFAOYSA-N
XLogP3.39
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471
1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633469
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633505
1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
CID 115758908
1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
1-(4-tert-butylphenyl)-3-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]urea
CID 90633974
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea (CID 90633477) is 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea is CCOc1ccc(NC(=O)NC2CCC(Oc3ncccn3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The InChIKey is SSZCKVGNNFDQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-25-16-8-4-14(5-9-16)22-18(24)23-15-6-10-17(11-7-15)26-19-20-12-3-13-21-19/h3-5,8-9,12-13,15,17H,2,6-7,10-11H2,1H3,(H2,22,23,24).
What are the key properties of 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea has a molecular weight of 356.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea is sourced from PubChem (CID 90633477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).