1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea

C21H16ClN5O3 — CID 11212355

IUPAC1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(Cl)nc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H16ClN5O3/c1-29-17-9-5-4-8-16(17)23-20(28)26-19-24-18(22)25-21(27-19)30-15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3,(H2,23,24,25,26,27,28)
InChIKeyUFLMRKJRUQTEFE-UHFFFAOYSA-N
MW421.84 g/mol
LogP5.12
Rot. Bonds5

About 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea

1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea (PubChem CID 11212355) has the molecular formula C21H16ClN5O3 and a molecular weight of 421.84 g/mol. Its IUPAC name is 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea
PubChem CID11212355
Molecular FormulaC21H16ClN5O3
Molecular Weight421.84 g/mol
Exact Mass421.09
IUPAC Name1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(Cl)nc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H16ClN5O3/c1-29-17-9-5-4-8-16(17)23-20(28)26-19-24-18(22)25-21(27-19)30-15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3,(H2,23,24,25,26,27,28)
InChIKeyUFLMRKJRUQTEFE-UHFFFAOYSA-N
XLogP5.12
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.84
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea with MolForge

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl-[4-[(2-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 11365598
2-amino-2-[4-[(2-methylphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid
CID 90694917
2-amino-2-[4-[(4-methoxyphenyl)carbamoylamino]-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl]acetic acid
CID 91086227
1-(2-methoxyphenyl)-3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]urea
CID 26871400
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
2-(4,6-dichloro-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 3618480
N-(2-methoxyphenyl)-6-methyl-2-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 3113552
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
2,4-dichloro-6-(2-methoxyphenoxy)-1,3,5-triazine
CID 54201901
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea (CID 11212355) is 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1nc(Cl)nc(Oc2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is UFLMRKJRUQTEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O3/c1-29-17-9-5-4-8-16(17)23-20(28)26-19-24-18(22)25-21(27-19)30-15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3,(H2,23,24,25,26,27,28).
What are the key properties of 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea?
1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 421.84 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 11212355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).