1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea

C19H16N4O — CID 59306221

IUPAC1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea
SMILESC=Cc1cnc(N(C(=O)Nc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C19H16N4O/c1-2-15-13-20-18(21-14-15)23(17-11-7-4-8-12-17)19(24)22-16-9-5-3-6-10-16/h2-14H,1H2,(H,22,24)
InChIKeyXIISMBNTQGZSGY-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.49
Rot. Bonds4

About 1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea

1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea (PubChem CID 59306221) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea.

Molecular Properties

Compound Name1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea
PubChem CID59306221
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea
SMILESC=Cc1cnc(N(C(=O)Nc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C19H16N4O/c1-2-15-13-20-18(21-14-15)23(17-11-7-4-8-12-17)19(24)22-16-9-5-3-6-10-16/h2-14H,1H2,(H,22,24)
InChIKeyXIISMBNTQGZSGY-UHFFFAOYSA-N
XLogP4.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1,1-diphenyl-3-(phenylcarbamoyl)urea
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1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
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1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea
CID 14709281
1,3-diphenyl-1-triethylsilylurea
CID 21314542
3-[6-(2-hydroxyethoxy)-3-pyridinyl]-1-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)urea
CID 66594734
1-[4-(oxan-4-ylamino)pyrimidin-2-yl]-1-phenyl-3-pyridin-4-ylurea
CID 67616912
1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea
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CID 34697540

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea?
The IUPAC name of 1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea (CID 59306221) is 1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea.
What is the SMILES notation for 1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea?
The canonical SMILES for 1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea is C=Cc1cnc(N(C(=O)Nc2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea?
The InChIKey is XIISMBNTQGZSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-15-13-20-18(21-14-15)23(17-11-7-4-8-12-17)19(24)22-16-9-5-3-6-10-16/h2-14H,1H2,(H,22,24).
What are the key properties of 1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea?
1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea has a molecular weight of 316.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea is sourced from PubChem (CID 59306221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).