6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine

C10H19N5O — CID 80831397

IUPAC6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCCCC(C)C)n1
InChIInChI=1S/C10H19N5O/c1-7(2)5-4-6-12-9-13-8(11)14-10(15-9)16-3/h7H,4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyGJQOBHFZOYRWLD-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.31
Rot. Bonds6

About 6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80831397) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine
PubChem CID80831397
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCCCC(C)C)n1
InChIInChI=1S/C10H19N5O/c1-7(2)5-4-6-12-9-13-8(11)14-10(15-9)16-3/h7H,4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyGJQOBHFZOYRWLD-UHFFFAOYSA-N
XLogP1.31
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine (CID 80831397) is 6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCCCC(C)C)n1.
What is the InChIKey of 6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GJQOBHFZOYRWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7(2)5-4-6-12-9-13-8(11)14-10(15-9)16-3/h7H,4-6H2,1-3H3,(H3,11,12,13,14,15).
What are the key properties of 6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 225.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(4-methylpentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80831397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).