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

C14H22N4O3 — CID 91626327

IUPAC1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESCOCCNC(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H22N4O3/c1-20-10-9-15-13(19)18-11-3-5-12(6-4-11)21-14-16-7-2-8-17-14/h2,7-8,11-12H,3-6,9-10H2,1H3,(H2,15,18,19)
InChIKeyVKOLHGFLJDZHSP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.11
Rot. Bonds6

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

1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea (PubChem CID 91626327) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
PubChem CID91626327
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
SMILESCOCCNC(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H22N4O3/c1-20-10-9-15-13(19)18-11-3-5-12(6-4-11)21-14-16-7-2-8-17-14/h2,7-8,11-12H,3-6,9-10H2,1H3,(H2,15,18,19)
InChIKeyVKOLHGFLJDZHSP-UHFFFAOYSA-N
XLogP1.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methoxyethyl)-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-Cyclohexyl-3-pyrimidin-2-yl-urea
CID 3526095
4-[[2-(Butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793604
1-(1-Methoxypropan-2-yl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831205
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
N-[4-(5-fluoro-2-pyrimidinyloxy)cyclohexyl]acetylaminoacetamide
CID 91626408
1-Methyl-3-[(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]urea
CID 118740813
2-ethoxy-N-((1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl)acetamide
CID 91626239
N-[(1r,4r)-4-(2-pyrimidinyloxy)cyclohexyl]cyclopropylacetamide
CID 91626300
trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 50961909
2-(N-methylmethanesulfonamido)-N-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]acetamide
CID 91626284
2-methoxy-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]acetamide
CID 91626365
2-ethoxy-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)acetamide
CID 91626367

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea (CID 91626327) is 1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea is COCCNC(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
The InChIKey is VKOLHGFLJDZHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-20-10-9-15-13(19)18-11-3-5-12(6-4-11)21-14-16-7-2-8-17-14/h2,7-8,11-12H,3-6,9-10H2,1H3,(H2,15,18,19).
What are the key properties of 1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea?
1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea has a molecular weight of 294.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea is sourced from PubChem (CID 91626327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).