1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea

C17H15N5O2 — CID 22936793

IUPAC1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
SMILESNc1nccc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C17H15N5O2/c18-16-19-11-10-15(22-16)24-14-8-6-13(7-9-14)21-17(23)20-12-4-2-1-3-5-12/h1-11H,(H2,18,19,22)(H2,20,21,23)
InChIKeyHSZHUVQXIARPAK-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.50
Rot. Bonds4

About 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea

1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea (PubChem CID 22936793) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
PubChem CID22936793
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
SMILESNc1nccc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C17H15N5O2/c18-16-19-11-10-15(22-16)24-14-8-6-13(7-9-14)21-17(23)20-12-4-2-1-3-5-12/h1-11H,(H2,18,19,22)(H2,20,21,23)
InChIKeyHSZHUVQXIARPAK-UHFFFAOYSA-N
XLogP3.50
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-aminophenoxy)pyrimidin-2-amine;1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 160708117
4-(4-methoxyphenoxy)pyrimidin-2-amine
CID 80869938
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 11477833
tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
CID 133062095
1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide
CID 158018338
1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 58930976
1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309674
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
1-(4-fluorophenyl)-3-[4-[(2-phenyl-4-pyridinyl)oxy]phenyl]urea;4-[(2-phenyl-4-pyridinyl)oxy]aniline
CID 158881866
2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380
1-phenyl-3-[4-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea
CID 23876655

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea?
The IUPAC name of 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea (CID 22936793) is 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea is Nc1nccc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)n1.
What is the InChIKey of 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea?
The InChIKey is HSZHUVQXIARPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-16-19-11-10-15(22-16)24-14-8-6-13(7-9-14)21-17(23)20-12-4-2-1-3-5-12/h1-11H,(H2,18,19,22)(H2,20,21,23).
What are the key properties of 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea?
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea has a molecular weight of 321.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea is sourced from PubChem (CID 22936793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).