6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine

C13H17N5O — CID 659117

IUPAC6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCCOc1ccc(Cc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C13H17N5O/c1-2-7-19-10-5-3-9(4-6-10)8-11-16-12(14)18-13(15)17-11/h3-6H,2,7-8H2,1H3,(H4,14,15,16,17,18)
InChIKeyAVIHCLQAOCFFOH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.42
Rot. Bonds5

About 6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine

6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 659117) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID659117
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCCOc1ccc(Cc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C13H17N5O/c1-2-7-19-10-5-3-9(4-6-10)8-11-16-12(14)18-13(15)17-11/h3-6H,2,7-8H2,1H3,(H4,14,15,16,17,18)
InChIKeyAVIHCLQAOCFFOH-UHFFFAOYSA-N
XLogP1.42
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 659117) is 6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is CCCOc1ccc(Cc2nc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is AVIHCLQAOCFFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-7-19-10-5-3-9(4-6-10)8-11-16-12(14)18-13(15)17-11/h3-6H,2,7-8H2,1H3,(H4,14,15,16,17,18).
What are the key properties of 6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 259.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 659117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).