1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea

C17H19ClN4O2 — CID 90633954

IUPAC1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCC(Oc2ncc(Cl)cn2)CC1
InChIInChI=1S/C17H19ClN4O2/c18-12-10-19-17(20-11-12)24-15-8-6-14(7-9-15)22-16(23)21-13-4-2-1-3-5-13/h1-5,10-11,14-15H,6-9H2,(H2,21,22,23)
InChIKeyZQEPPEBPIOCOOS-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.64
Rot. Bonds4

About 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea

1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea (PubChem CID 90633954) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
PubChem CID90633954
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCC(Oc2ncc(Cl)cn2)CC1
InChIInChI=1S/C17H19ClN4O2/c18-12-10-19-17(20-11-12)24-15-8-6-14(7-9-15)22-16(23)21-13-4-2-1-3-5-13/h1-5,10-11,14-15H,6-9H2,(H2,21,22,23)
InChIKeyZQEPPEBPIOCOOS-UHFFFAOYSA-N
XLogP3.64
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea 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-(4-tert-butylphenyl)-3-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]urea
CID 90633974
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695
2-benzylsulfanyl-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633748
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633477
1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633469
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
CID 90633658
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 158421344

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea?
The IUPAC name of 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea (CID 90633954) is 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea?
The canonical SMILES for 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea is O=C(Nc1ccccc1)NC1CCC(Oc2ncc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea?
The InChIKey is ZQEPPEBPIOCOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-12-10-19-17(20-11-12)24-15-8-6-14(7-9-15)22-16(23)21-13-4-2-1-3-5-13/h1-5,10-11,14-15H,6-9H2,(H2,21,22,23).
What are the key properties of 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea?
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea has a molecular weight of 346.82 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea is sourced from PubChem (CID 90633954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).