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

C19H24N4O2 — CID 91626320

IUPAC1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESO=C(NCCc1ccccc1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C19H24N4O2/c24-18(20-14-11-15-5-2-1-3-6-15)23-16-7-9-17(10-8-16)25-19-21-12-4-13-22-19/h1-6,12-13,16-17H,7-11,14H2,(H2,20,23,24)
InChIKeyPYBOCEVLPFOFRN-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.71
Rot. Bonds6

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

1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea (PubChem CID 91626320) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
PubChem CID91626320
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESO=C(NCCc1ccccc1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C19H24N4O2/c24-18(20-14-11-15-5-2-1-3-6-15)23-16-7-9-17(10-8-16)25-19-21-12-4-13-22-19/h1-6,12-13,16-17H,7-11,14H2,(H2,20,23,24)
InChIKeyPYBOCEVLPFOFRN-UHFFFAOYSA-N
XLogP2.71
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(3-phenylpropyl)urea
CID 90634987
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
1-(3-hydroxycyclohexyl)-3-(2-phenylethyl)urea
CID 71786227
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633505
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
CID 23766297
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The IUPAC name of 1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea (CID 91626320) is 1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The canonical SMILES for 1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea is O=C(NCCc1ccccc1)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The InChIKey is PYBOCEVLPFOFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(20-14-11-15-5-2-1-3-6-15)23-16-7-9-17(10-8-16)25-19-21-12-4-13-22-19/h1-6,12-13,16-17H,7-11,14H2,(H2,20,23,24).
What are the key properties of 1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea has a molecular weight of 340.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea is sourced from PubChem (CID 91626320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).