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

C18H22N4O2 — CID 90633469

IUPAC1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESCc1cccc(NC(=O)NC2CCC(Oc3ncccn3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-4-2-5-15(12-13)22-17(23)21-14-6-8-16(9-7-14)24-18-19-10-3-11-20-18/h2-5,10-12,14,16H,6-9H2,1H3,(H2,21,22,23)
InChIKeyWIQYTWXWJTWFCM-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.30
Rot. Bonds4

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

1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea (PubChem CID 90633469) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
PubChem CID90633469
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESCc1cccc(NC(=O)NC2CCC(Oc3ncccn3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-4-2-5-15(12-13)22-17(23)21-14-6-8-16(9-7-14)24-18-19-10-3-11-20-18/h2-5,10-12,14,16H,6-9H2,1H3,(H2,21,22,23)
InChIKeyWIQYTWXWJTWFCM-UHFFFAOYSA-N
XLogP3.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633477
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633505
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320
1-(4-tert-butylphenyl)-3-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]urea
CID 90633974
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea (CID 90633469) is 1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea is Cc1cccc(NC(=O)NC2CCC(Oc3ncccn3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The InChIKey is WIQYTWXWJTWFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-4-2-5-15(12-13)22-17(23)21-14-6-8-16(9-7-14)24-18-19-10-3-11-20-18/h2-5,10-12,14,16H,6-9H2,1H3,(H2,21,22,23).
What are the key properties of 1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea has a molecular weight of 326.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea is sourced from PubChem (CID 90633469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).