1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea

C30H25N5O3 — CID 58397003

IUPAC1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea
SMILESCCc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)n1
InChIInChI=1S/C30H25N5O3/c1-2-28-31-20-18-27(35-28)26-9-6-19-32-29(26)38-25-16-12-22(13-17-25)34-30(36)33-21-10-14-24(15-11-21)37-23-7-4-3-5-8-23/h3-20H,2H2,1H3,(H2,33,34,36)
InChIKeyJSYAULLVDHITAS-UHFFFAOYSA-N
MW503.56 g/mol
LogP7.33
Rot. Bonds8

About 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea

1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea (PubChem CID 58397003) has the molecular formula C30H25N5O3 and a molecular weight of 503.56 g/mol. Its IUPAC name is 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea
PubChem CID58397003
Molecular FormulaC30H25N5O3
Molecular Weight503.56 g/mol
Exact Mass503.20
IUPAC Name1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea
SMILESCCc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)n1
InChIInChI=1S/C30H25N5O3/c1-2-28-31-20-18-27(35-28)26-9-6-19-32-29(26)38-25-16-12-22(13-17-25)34-30(36)33-21-10-14-24(15-11-21)37-23-7-4-3-5-8-23/h3-20H,2H2,1H3,(H2,33,34,36)
InChIKeyJSYAULLVDHITAS-UHFFFAOYSA-N
XLogP7.33
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.56
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea
CID 58396205
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 58396410
1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea
CID 58397000
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]urea
CID 58396427
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]urea
CID 58397195
1-(3-ethylphenyl)-3-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58587813
2-(cyclopropylmethylamino)-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridine-3-carboxamide
CID 58396445
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-[3-fluoro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]urea
CID 58396865
1-(3-tert-butylphenyl)-3-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylphenyl]urea
CID 58396466
3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide
CID 58396283
N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide
CID 58396397
2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide
CID 58397028

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea (CID 58397003) is 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea is CCc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)n1.
What is the InChIKey of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea?
The InChIKey is JSYAULLVDHITAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O3/c1-2-28-31-20-18-27(35-28)26-9-6-19-32-29(26)38-25-16-12-22(13-17-25)34-30(36)33-21-10-14-24(15-11-21)37-23-7-4-3-5-8-23/h3-20H,2H2,1H3,(H2,33,34,36).
What are the key properties of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea?
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea has a molecular weight of 503.56 g/mol, XLogP of 7.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 58397003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).