3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol

C9H15ClN4O2S — CID 106159136

IUPAC3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCOc1nc(Cl)nc(NC(C)C(CO)SC)n1
InChIInChI=1S/C9H15ClN4O2S/c1-5(6(4-15)17-3)11-8-12-7(10)13-9(14-8)16-2/h5-6,15H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyVHJPICWWGBRILD-UHFFFAOYSA-N
MW278.77 g/mol
LogP1.06
Rot. Bonds6

About 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106159136) has the molecular formula C9H15ClN4O2S and a molecular weight of 278.77 g/mol. Its IUPAC name is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID106159136
Molecular FormulaC9H15ClN4O2S
Molecular Weight278.77 g/mol
Exact Mass278.06
IUPAC Name3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCOc1nc(Cl)nc(NC(C)C(CO)SC)n1
InChIInChI=1S/C9H15ClN4O2S/c1-5(6(4-15)17-3)11-8-12-7(10)13-9(14-8)16-2/h5-6,15H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyVHJPICWWGBRILD-UHFFFAOYSA-N
XLogP1.06
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol with MolForge

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Related Compounds

3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163511
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106350623
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
CID 62859139
4-chloro-6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 65048061
N-but-3-yn-2-yl-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 114417966
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62857824
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162577
2-methylsulfanyl-3-[(3,5,6-trichloro-2-pyridinyl)amino]butan-1-ol
CID 106162580
3-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 62858823
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303010
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 62857388

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol (CID 106159136) is 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol is COc1nc(Cl)nc(NC(C)C(CO)SC)n1.
What is the InChIKey of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is VHJPICWWGBRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2S/c1-5(6(4-15)17-3)11-8-12-7(10)13-9(14-8)16-2/h5-6,15H,4H2,1-3H3,(H,11,12,13,14).
What are the key properties of 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 278.77 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106159136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).