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

C13H20N4O2 — CID 90633499

IUPAC1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESCCNC(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C13H20N4O2/c1-2-14-12(18)17-10-4-6-11(7-5-10)19-13-15-8-3-9-16-13/h3,8-11H,2,4-7H2,1H3,(H2,14,17,18)
InChIKeySEDFXPCBDHBBMM-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.49
Rot. Bonds4

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

1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea (PubChem CID 90633499) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
PubChem CID90633499
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESCCNC(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C13H20N4O2/c1-2-14-12(18)17-10-4-6-11(7-5-10)19-13-15-8-3-9-16-13/h3,8-11H,2,4-7H2,1H3,(H2,14,17,18)
InChIKeySEDFXPCBDHBBMM-UHFFFAOYSA-N
XLogP1.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633477
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226
1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633469
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633505
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633335
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471
2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626284
N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
CID 90633512
1-acetyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-4-carboxamide
CID 91626232

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The IUPAC name of 1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea (CID 90633499) is 1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea.
What is the SMILES notation for 1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The canonical SMILES for 1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea is CCNC(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The InChIKey is SEDFXPCBDHBBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-14-12(18)17-10-4-6-11(7-5-10)19-13-15-8-3-9-16-13/h3,8-11H,2,4-7H2,1H3,(H2,14,17,18).
What are the key properties of 1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea has a molecular weight of 264.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea is sourced from PubChem (CID 90633499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).