1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea

C21H17N5O3 — CID 58584583

IUPAC1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea
SMILESCOc1nc(NC(=O)Nc2ccccc2)nc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H17N5O3/c1-28-20-24-18(23-19(27)22-16-9-3-2-4-10-16)25-21(26-20)29-17-12-11-14-7-5-6-8-15(14)13-17/h2-13H,1H3,(H2,22,23,24,25,26,27)
InChIKeyMJRSYWKQYWXJQX-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.47
Rot. Bonds5

About 1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea

1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea (PubChem CID 58584583) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea
PubChem CID58584583
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea
SMILESCOc1nc(NC(=O)Nc2ccccc2)nc(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H17N5O3/c1-28-20-24-18(23-19(27)22-16-9-3-2-4-10-16)25-21(26-20)29-17-12-11-14-7-5-6-8-15(14)13-17/h2-13H,1H3,(H2,22,23,24,25,26,27)
InChIKeyMJRSYWKQYWXJQX-UHFFFAOYSA-N
XLogP4.47
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea?
The IUPAC name of 1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea (CID 58584583) is 1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea?
The canonical SMILES for 1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea is COc1nc(NC(=O)Nc2ccccc2)nc(Oc2ccc3ccccc3c2)n1.
What is the InChIKey of 1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea?
The InChIKey is MJRSYWKQYWXJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-28-20-24-18(23-19(27)22-16-9-3-2-4-10-16)25-21(26-20)29-17-12-11-14-7-5-6-8-15(14)13-17/h2-13H,1H3,(H2,22,23,24,25,26,27).
What are the key properties of 1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea?
1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea has a molecular weight of 387.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-naphthalen-2-yloxy-1,3,5-triazin-2-yl)-3-phenylurea is sourced from PubChem (CID 58584583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).