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

C11H13N5O — CID 826378

IUPAC6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C11H13N5O/c1-17-8-4-2-7(3-5-8)6-9-14-10(12)16-11(13)15-9/h2-5H,6H2,1H3,(H4,12,13,14,15,16)
InChIKeyBWOFMRXKJBOQLT-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.64
Rot. Bonds3

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

6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 826378) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID826378
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C11H13N5O/c1-17-8-4-2-7(3-5-8)6-9-14-10(12)16-11(13)15-9/h2-5H,6H2,1H3,(H4,12,13,14,15,16)
InChIKeyBWOFMRXKJBOQLT-UHFFFAOYSA-N
XLogP0.64
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 826378) is 6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is COc1ccc(Cc2nc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BWOFMRXKJBOQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-17-8-4-2-7(3-5-8)6-9-14-10(12)16-11(13)15-9/h2-5H,6H2,1H3,(H4,12,13,14,15,16).
What are the key properties of 6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 231.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 826378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).