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

C10H19N5OS — CID 14574260

IUPAC4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCOCCNc1nc(NC(C)C)nc(SC)n1
InChIInChI=1S/C10H19N5OS/c1-7(2)12-9-13-8(11-5-6-16-3)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyZQHPUPALTSRCNK-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.47
Rot. Bonds7

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

4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 14574260) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID14574260
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCOCCNc1nc(NC(C)C)nc(SC)n1
InChIInChI=1S/C10H19N5OS/c1-7(2)12-9-13-8(11-5-6-16-3)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyZQHPUPALTSRCNK-UHFFFAOYSA-N
XLogP1.47
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 14574260) is 4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is COCCNc1nc(NC(C)C)nc(SC)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZQHPUPALTSRCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-7(2)12-9-13-8(11-5-6-16-3)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15).
What are the key properties of 4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 257.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14574260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).