2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione

C12H22N4S — CID 174716213

IUPAC2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione
SMILESCc1nc(=S)nc(C(C)N(C(C)C)C(C)C)[nH]1
InChIInChI=1S/C12H22N4S/c1-7(2)16(8(3)4)9(5)11-13-10(6)14-12(17)15-11/h7-9H,1-6H3,(H,13,14,15,17)
InChIKeyADLBTCWCKLIILT-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.02
Rot. Bonds4

About 2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione

2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione (PubChem CID 174716213) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione
PubChem CID174716213
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione
SMILESCc1nc(=S)nc(C(C)N(C(C)C)C(C)C)[nH]1
InChIInChI=1S/C12H22N4S/c1-7(2)16(8(3)4)9(5)11-13-10(6)14-12(17)15-11/h7-9H,1-6H3,(H,13,14,15,17)
InChIKeyADLBTCWCKLIILT-UHFFFAOYSA-N
XLogP3.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione (CID 174716213) is 2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione is Cc1nc(=S)nc(C(C)N(C(C)C)C(C)C)[nH]1.
What is the InChIKey of 2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione?
The InChIKey is ADLBTCWCKLIILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-7(2)16(8(3)4)9(5)11-13-10(6)14-12(17)15-11/h7-9H,1-6H3,(H,13,14,15,17).
What are the key properties of 2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione?
2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione has a molecular weight of 254.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[di(propan-2-yl)amino]ethyl]-6-methyl-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 174716213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).