1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea

C23H20N6O2 — CID 58397000

IUPAC1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea
SMILESCCc1ncnc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C23H20N6O2/c1-2-20-25-15-26-21(29-20)19-9-6-14-24-22(19)31-18-12-10-17(11-13-18)28-23(30)27-16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H2,27,28,30)
InChIKeyYPDNOUQHCKDGNI-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.93
Rot. Bonds6

About 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea

1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea (PubChem CID 58397000) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea
PubChem CID58397000
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea
SMILESCCc1ncnc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C23H20N6O2/c1-2-20-25-15-26-21(29-20)19-9-6-14-24-22(19)31-18-12-10-17(11-13-18)28-23(30)27-16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H2,27,28,30)
InChIKeyYPDNOUQHCKDGNI-UHFFFAOYSA-N
XLogP4.93
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea
CID 58396506
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea
CID 58397003
1-(3-ethylphenyl)-3-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]urea
CID 58396292
1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea
CID 58396746
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]naphthalen-1-yl]-3-(2-methoxyphenyl)urea
CID 58396855
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]urea
CID 58397103
1-(3-ethylphenyl)-3-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58587813
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
3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide
CID 58396283

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea (CID 58397000) is 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea is CCc1ncnc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3)cc2)n1.
What is the InChIKey of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea?
The InChIKey is YPDNOUQHCKDGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-2-20-25-15-26-21(29-20)19-9-6-14-24-22(19)31-18-12-10-17(11-13-18)28-23(30)27-16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H2,27,28,30).
What are the key properties of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea?
1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea has a molecular weight of 412.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]phenyl]-3-phenylurea is sourced from PubChem (CID 58397000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).