1-(2-phenoxypyrimidin-5-yl)-3-phenylurea

C17H14N4O2 — CID 122302271

IUPAC1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C17H14N4O2/c22-16(20-13-7-3-1-4-8-13)21-14-11-18-17(19-12-14)23-15-9-5-2-6-10-15/h1-12H,(H2,20,21,22)
InChIKeyMIUIDVDNNBBUAU-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.91
Rot. Bonds4

About 1-(2-phenoxypyrimidin-5-yl)-3-phenylurea

1-(2-phenoxypyrimidin-5-yl)-3-phenylurea (PubChem CID 122302271) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-(2-phenoxypyrimidin-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
PubChem CID122302271
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cnc(Oc2ccccc2)nc1
InChIInChI=1S/C17H14N4O2/c22-16(20-13-7-3-1-4-8-13)21-14-11-18-17(19-12-14)23-15-9-5-2-6-10-15/h1-12H,(H2,20,21,22)
InChIKeyMIUIDVDNNBBUAU-UHFFFAOYSA-N
XLogP3.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302313
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302267
N-(2-phenoxypyrimidin-5-yl)prop-2-enamide
CID 139021184
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302256
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
N-(2-phenoxypyrimidin-5-yl)quinoxaline-2-carboxamide
CID 122302374
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxypyrimidin-5-yl)-3-phenylurea?
The IUPAC name of 1-(2-phenoxypyrimidin-5-yl)-3-phenylurea (CID 122302271) is 1-(2-phenoxypyrimidin-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-phenoxypyrimidin-5-yl)-3-phenylurea?
The canonical SMILES for 1-(2-phenoxypyrimidin-5-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cnc(Oc2ccccc2)nc1.
What is the InChIKey of 1-(2-phenoxypyrimidin-5-yl)-3-phenylurea?
The InChIKey is MIUIDVDNNBBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-16(20-13-7-3-1-4-8-13)21-14-11-18-17(19-12-14)23-15-9-5-2-6-10-15/h1-12H,(H2,20,21,22).
What are the key properties of 1-(2-phenoxypyrimidin-5-yl)-3-phenylurea?
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea has a molecular weight of 306.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxypyrimidin-5-yl)-3-phenylurea is sourced from PubChem (CID 122302271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).