1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea

C14H16N4O2 — CID 108893308

IUPAC1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
SMILESCCc1ccccc1OCNC(=O)Nc1ncccn1
InChIInChI=1S/C14H16N4O2/c1-2-11-6-3-4-7-12(11)20-10-17-14(19)18-13-15-8-5-9-16-13/h3-9H,2,10H2,1H3,(H2,15,16,17,18,19)
InChIKeyNJRVWOIIVAWPOB-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.20
Rot. Bonds5

About 1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea

1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea (PubChem CID 108893308) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
PubChem CID108893308
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
SMILESCCc1ccccc1OCNC(=O)Nc1ncccn1
InChIInChI=1S/C14H16N4O2/c1-2-11-6-3-4-7-12(11)20-10-17-14(19)18-13-15-8-5-9-16-13/h3-9H,2,10H2,1H3,(H2,15,16,17,18,19)
InChIKeyNJRVWOIIVAWPOB-UHFFFAOYSA-N
XLogP2.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893476
1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
CID 108893435
1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea
CID 108893373
1-(2-chloroethyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893263
1-[(2-ethylphenoxy)methyl]-3-(2-nitrophenyl)urea
CID 108893161
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893462
2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid
CID 108893237
ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
CID 108893525

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea?
The IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea (CID 108893308) is 1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea is CCc1ccccc1OCNC(=O)Nc1ncccn1.
What is the InChIKey of 1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea?
The InChIKey is NJRVWOIIVAWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-11-6-3-4-7-12(11)20-10-17-14(19)18-13-15-8-5-9-16-13/h3-9H,2,10H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea?
1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea has a molecular weight of 272.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea is sourced from PubChem (CID 108893308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).