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

C14H14N4O — CID 108905451

IUPAC1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
SMILESCc1cccc(/C=C/NC(=O)Nc2ncccn2)c1
InChIInChI=1S/C14H14N4O/c1-11-4-2-5-12(10-11)6-9-17-14(19)18-13-15-7-3-8-16-13/h2-10H,1H3,(H2,15,16,17,18,19)/b9-6+
InChIKeyYYHZMTRUOVGODN-RMKNXTFCSA-N
MW254.29 g/mol
LogP2.58
Rot. Bonds3

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

1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea (PubChem CID 108905451) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
PubChem CID108905451
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
SMILESCc1cccc(/C=C/NC(=O)Nc2ncccn2)c1
InChIInChI=1S/C14H14N4O/c1-11-4-2-5-12(10-11)6-9-17-14(19)18-13-15-7-3-8-16-13/h2-10H,1H3,(H2,15,16,17,18,19)/b9-6+
InChIKeyYYHZMTRUOVGODN-RMKNXTFCSA-N
XLogP2.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905411
1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905616
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108907686
1-(3-chloro-2-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905323
1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905529
1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
CID 108905502
1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905550
1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905078
1-butan-2-yl-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905352
1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108905514
(E)-3-[3-(pyrimidin-2-ylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340564

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea?
The IUPAC name of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea (CID 108905451) is 1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea is Cc1cccc(/C=C/NC(=O)Nc2ncccn2)c1.
What is the InChIKey of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea?
The InChIKey is YYHZMTRUOVGODN-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H14N4O/c1-11-4-2-5-12(10-11)6-9-17-14(19)18-13-15-7-3-8-16-13/h2-10H,1H3,(H2,15,16,17,18,19)/b9-6+.
What are the key properties of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea?
1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea has a molecular weight of 254.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea is sourced from PubChem (CID 108905451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).