4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine

C14H11ClN4O — CID 62858993

IUPAC4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C14H11ClN4O/c1-20-14-18-12(15)17-13(19-14)16-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,16,17,18,19)
InChIKeyRVFJDLZUPSQJKF-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.43
Rot. Bonds3

About 4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine (PubChem CID 62858993) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine
PubChem CID62858993
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C14H11ClN4O/c1-20-14-18-12(15)17-13(19-14)16-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,16,17,18,19)
InChIKeyRVFJDLZUPSQJKF-UHFFFAOYSA-N
XLogP3.43
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine (CID 62858993) is 4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine is COc1nc(Cl)nc(Nc2cccc3ccccc23)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
The InChIKey is RVFJDLZUPSQJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-20-14-18-12(15)17-13(19-14)16-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine has a molecular weight of 286.72 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-naphthalen-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).