1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea

C14H16N4O2 — CID 91968447

IUPAC1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
SMILESCCc1ccc(NC(=O)Nc2cnc(OC)nc2)cc1
InChIInChI=1S/C14H16N4O2/c1-3-10-4-6-11(7-5-10)17-13(19)18-12-8-15-14(20-2)16-9-12/h4-9H,3H2,1-2H3,(H2,17,18,19)
InChIKeyNZXJPEIOZVLJDB-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea

1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea (PubChem CID 91968447) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
PubChem CID91968447
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
SMILESCCc1ccc(NC(=O)Nc2cnc(OC)nc2)cc1
InChIInChI=1S/C14H16N4O2/c1-3-10-4-6-11(7-5-10)17-13(19)18-12-8-15-14(20-2)16-9-12/h4-9H,3H2,1-2H3,(H2,17,18,19)
InChIKeyNZXJPEIOZVLJDB-UHFFFAOYSA-N
XLogP2.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
2-(4-fluorophenyl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799750
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 122301482
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
1-(2-methoxypyrimidin-5-yl)-3-thiophen-2-ylurea
CID 122301728
1-(2-ethoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301912
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea (CID 91968447) is 1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea is CCc1ccc(NC(=O)Nc2cnc(OC)nc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea?
The InChIKey is NZXJPEIOZVLJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-10-4-6-11(7-5-10)17-13(19)18-12-8-15-14(20-2)16-9-12/h4-9H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea?
1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea has a molecular weight of 272.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea is sourced from PubChem (CID 91968447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).