1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea

C31H25N5O2 — CID 58396205

IUPAC1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea
SMILESCCc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2)n1
InChIInChI=1S/C31H25N5O2/c1-2-29-32-17-15-28(36-29)27-8-5-16-33-30(27)38-24-12-9-22(10-13-24)34-31(37)35-23-11-14-26-21(19-23)18-20-6-3-4-7-25(20)26/h3-17,19H,2,18H2,1H3,(H2,34,35,37)
InChIKeyUTBSBKXWNGQQME-UHFFFAOYSA-N
MW499.57 g/mol
LogP7.11
Rot. Bonds6

About 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea

1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea (PubChem CID 58396205) has the molecular formula C31H25N5O2 and a molecular weight of 499.57 g/mol. Its IUPAC name is 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea.

Molecular Properties

Compound Name1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea
PubChem CID58396205
Molecular FormulaC31H25N5O2
Molecular Weight499.57 g/mol
Exact Mass499.20
IUPAC Name1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea
SMILESCCc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2)n1
InChIInChI=1S/C31H25N5O2/c1-2-29-32-17-15-28(36-29)27-8-5-16-33-30(27)38-24-12-9-22(10-13-24)34-31(37)35-23-11-14-26-21(19-23)18-20-6-3-4-7-25(20)26/h3-17,19H,2,18H2,1H3,(H2,34,35,37)
InChIKeyUTBSBKXWNGQQME-UHFFFAOYSA-N
XLogP7.11
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea
CID 58397003
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 58396410
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]urea
CID 58397195
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-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]urea
CID 58396427
1-(3-ethylphenyl)-3-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58587813
1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea
CID 58397000
1-(3-tert-butylphenyl)-3-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylphenyl]urea
CID 58396466
2-(cyclopropylmethylamino)-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridine-3-carboxamide
CID 58396445
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-(9H-fluoren-2-yl)urea?
The IUPAC name of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea (CID 58396205) is 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea.
What is the SMILES notation for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea?
The canonical SMILES for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea is CCc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2)n1.
What is the InChIKey of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea?
The InChIKey is UTBSBKXWNGQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O2/c1-2-29-32-17-15-28(36-29)27-8-5-16-33-30(27)38-24-12-9-22(10-13-24)34-31(37)35-23-11-14-26-21(19-23)18-20-6-3-4-7-25(20)26/h3-17,19H,2,18H2,1H3,(H2,34,35,37).
What are the key properties of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea?
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea has a molecular weight of 499.57 g/mol, XLogP of 7.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea is sourced from PubChem (CID 58396205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).