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

C12H15N5O — CID 660448

IUPAC6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Cc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C12H15N5O/c1-2-18-9-5-3-8(4-6-9)7-10-15-11(13)17-12(14)16-10/h3-6H,2,7H2,1H3,(H4,13,14,15,16,17)
InChIKeyFCDAGJPZMQQGGM-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.03
Rot. Bonds4

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

6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 660448) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID660448
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Cc2nc(N)nc(N)n2)cc1
InChIInChI=1S/C12H15N5O/c1-2-18-9-5-3-8(4-6-9)7-10-15-11(13)17-12(14)16-10/h3-6H,2,7H2,1H3,(H4,13,14,15,16,17)
InChIKeyFCDAGJPZMQQGGM-UHFFFAOYSA-N
XLogP1.03
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 660448) is 6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is CCOc1ccc(Cc2nc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FCDAGJPZMQQGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-18-9-5-3-8(4-6-9)7-10-15-11(13)17-12(14)16-10/h3-6H,2,7H2,1H3,(H4,13,14,15,16,17).
What are the key properties of 6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 245.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 660448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).