2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C11H21N5OS — CID 20511916

IUPAC2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(NC(C)C)nc(SC)n1)OC
InChIInChI=1S/C11H21N5OS/c1-6-8(17-4)13-10-14-9(12-7(2)3)15-11(16-10)18-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)
InChIKeyHBAIJLNEFVEYLN-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.21
Rot. Bonds7

About 2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 20511916) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID20511916
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(NC(C)C)nc(SC)n1)OC
InChIInChI=1S/C11H21N5OS/c1-6-8(17-4)13-10-14-9(12-7(2)3)15-11(16-10)18-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)
InChIKeyHBAIJLNEFVEYLN-UHFFFAOYSA-N
XLogP2.21
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 20511916) is 2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCC(Nc1nc(NC(C)C)nc(SC)n1)OC.
What is the InChIKey of 2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is HBAIJLNEFVEYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-6-8(17-4)13-10-14-9(12-7(2)3)15-11(16-10)18-5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16).
What are the key properties of 2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 271.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropyl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20511916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).