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

C10H19N5O — CID 80844381

IUPAC2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCC(C)C(C)C)n1
InChIInChI=1S/C10H19N5O/c1-6(2)7(3)5-12-9-13-8(11)14-10(15-9)16-4/h6-7H,5H2,1-4H3,(H3,11,12,13,14,15)
InChIKeyGHFINXKTJBFFFV-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.17
Rot. Bonds5

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

2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80844381) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80844381
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCC(C)C(C)C)n1
InChIInChI=1S/C10H19N5O/c1-6(2)7(3)5-12-9-13-8(11)14-10(15-9)16-4/h6-7H,5H2,1-4H3,(H3,11,12,13,14,15)
InChIKeyGHFINXKTJBFFFV-UHFFFAOYSA-N
XLogP1.17
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80844381) is 2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCC(C)C(C)C)n1.
What is the InChIKey of 2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is GHFINXKTJBFFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6(2)7(3)5-12-9-13-8(11)14-10(15-9)16-4/h6-7H,5H2,1-4H3,(H3,11,12,13,14,15).
What are the key properties of 2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 225.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80844381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).