1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea

C14H14N4O2 — CID 108907686

IUPAC1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
SMILESCOc1ccc(/C=C/NC(=O)Nc2ncccn2)cc1
InChIInChI=1S/C14H14N4O2/c1-20-12-5-3-11(4-6-12)7-10-17-14(19)18-13-15-8-2-9-16-13/h2-10H,1H3,(H2,15,16,17,18,19)/b10-7+
InChIKeyJUNDRNIJBANIKL-JXMROGBWSA-N
MW270.29 g/mol
LogP2.28
Rot. Bonds4

About 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea (PubChem CID 108907686) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
PubChem CID108907686
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
SMILESCOc1ccc(/C=C/NC(=O)Nc2ncccn2)cc1
InChIInChI=1S/C14H14N4O2/c1-20-12-5-3-11(4-6-12)7-10-17-14(19)18-13-15-8-2-9-16-13/h2-10H,1H3,(H2,15,16,17,18,19)/b10-7+
InChIKeyJUNDRNIJBANIKL-JXMROGBWSA-N
XLogP2.28
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
CID 108907670
N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
CID 108907739
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905451
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907580
1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907679
1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907850
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907811
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907784
1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905078

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea?
The IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea (CID 108907686) is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea is COc1ccc(/C=C/NC(=O)Nc2ncccn2)cc1.
What is the InChIKey of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea?
The InChIKey is JUNDRNIJBANIKL-JXMROGBWSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-20-12-5-3-11(4-6-12)7-10-17-14(19)18-13-15-8-2-9-16-13/h2-10H,1H3,(H2,15,16,17,18,19)/b10-7+.
What are the key properties of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea?
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea has a molecular weight of 270.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea is sourced from PubChem (CID 108907686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).