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

C13H19N5O — CID 45483585

IUPAC1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C13H19N5O/c1-13(2)17-11(14)16-12(15)18(13)8-9-4-6-10(19-3)7-5-9/h4-7H,8H2,1-3H3,(H4,14,15,16,17)
InChIKeyDLDIKRDBHKDSLL-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.88
Rot. Bonds3

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

1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 45483585) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID45483585
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CN2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C13H19N5O/c1-13(2)17-11(14)16-12(15)18(13)8-9-4-6-10(19-3)7-5-9/h4-7H,8H2,1-3H3,(H4,14,15,16,17)
InChIKeyDLDIKRDBHKDSLL-UHFFFAOYSA-N
XLogP0.88
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 45483585) is 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccc(CN2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DLDIKRDBHKDSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-13(2)17-11(14)16-12(15)18(13)8-9-4-6-10(19-3)7-5-9/h4-7H,8H2,1-3H3,(H4,14,15,16,17).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 45483585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).