3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol

C11H19N3O2S — CID 113239917

IUPAC3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCOc1cc(C)nc(NC(C)C(CO)SC)n1
InChIInChI=1S/C11H19N3O2S/c1-7-5-10(16-3)14-11(12-7)13-8(2)9(6-15)17-4/h5,8-9,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyUBOBVXYYGLKTIU-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.32
Rot. Bonds6

About 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 113239917) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID113239917
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCOc1cc(C)nc(NC(C)C(CO)SC)n1
InChIInChI=1S/C11H19N3O2S/c1-7-5-10(16-3)14-11(12-7)13-8(2)9(6-15)17-4/h5,8-9,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyUBOBVXYYGLKTIU-UHFFFAOYSA-N
XLogP1.32
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol with MolForge

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Related Compounds

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106159136
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103819994
methyl 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 106158982
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115644029
4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine
CID 115899319
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 113292972
3-[(2-methoxy-4-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103847130
4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 115633959
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-N,N-dimethylpropanamide
CID 112691017

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol (CID 113239917) is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol is COc1cc(C)nc(NC(C)C(CO)SC)n1.
What is the InChIKey of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is UBOBVXYYGLKTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7-5-10(16-3)14-11(12-7)13-8(2)9(6-15)17-4/h5,8-9,15H,6H2,1-4H3,(H,12,13,14).
What are the key properties of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 257.36 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 113239917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).