2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol

C7H12N4OS — CID 83085031

IUPAC2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol
SMILESCSc1nc(N)nc(C(C)(C)O)n1
InChIInChI=1S/C7H12N4OS/c1-7(2,12)4-9-5(8)11-6(10-4)13-3/h12H,1-3H3,(H2,8,9,10,11)
InChIKeyAPRKRINRCJSGMW-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.40
Rot. Bonds2

About 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol

2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol (PubChem CID 83085031) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol
PubChem CID83085031
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol
SMILESCSc1nc(N)nc(C(C)(C)O)n1
InChIInChI=1S/C7H12N4OS/c1-7(2,12)4-9-5(8)11-6(10-4)13-3/h12H,1-3H3,(H2,8,9,10,11)
InChIKeyAPRKRINRCJSGMW-UHFFFAOYSA-N
XLogP0.40
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol?
The IUPAC name of 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol (CID 83085031) is 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol is CSc1nc(N)nc(C(C)(C)O)n1.
What is the InChIKey of 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol?
The InChIKey is APRKRINRCJSGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-7(2,12)4-9-5(8)11-6(10-4)13-3/h12H,1-3H3,(H2,8,9,10,11).
What are the key properties of 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol?
2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol has a molecular weight of 200.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-2-ol is sourced from PubChem (CID 83085031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).