6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine

C14H13N5O — CID 11971096

IUPAC6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc2ccccc2cc1-c1nc(N)nc(N)n1
InChIInChI=1S/C14H13N5O/c1-20-11-7-9-5-3-2-4-8(9)6-10(11)12-17-13(15)19-14(16)18-12/h2-7H,1H3,(H4,15,16,17,18,19)
InChIKeyIOMPKTJGTJQDMT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.86
Rot. Bonds2

About 6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine

6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 11971096) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID11971096
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc2ccccc2cc1-c1nc(N)nc(N)n1
InChIInChI=1S/C14H13N5O/c1-20-11-7-9-5-3-2-4-8(9)6-10(11)12-17-13(15)19-14(16)18-12/h2-7H,1H3,(H4,15,16,17,18,19)
InChIKeyIOMPKTJGTJQDMT-UHFFFAOYSA-N
XLogP1.86
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine (CID 11971096) is 6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine is COc1cc2ccccc2cc1-c1nc(N)nc(N)n1.
What is the InChIKey of 6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IOMPKTJGTJQDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-11-7-9-5-3-2-4-8(9)6-10(11)12-17-13(15)19-14(16)18-12/h2-7H,1H3,(H4,15,16,17,18,19).
What are the key properties of 6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine?
6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 267.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxynaphthalen-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11971096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).