3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

C11H19N3OS — CID 103819994

IUPAC3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cc(C)nc(C)n1
InChIInChI=1S/C11H19N3OS/c1-7-5-11(14-9(3)12-7)13-8(2)10(6-15)16-4/h5,8,10,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyDPPSOTWGJBMGAS-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.62
Rot. Bonds5

About 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 103819994) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID103819994
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cc(C)nc(C)n1
InChIInChI=1S/C11H19N3OS/c1-7-5-11(14-9(3)12-7)13-8(2)10(6-15)16-4/h5,8,10,15H,6H2,1-4H3,(H,12,13,14)
InChIKeyDPPSOTWGJBMGAS-UHFFFAOYSA-N
XLogP1.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 106158982
3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163695
(2S,3R)-2-methylsulfanyl-3-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]butan-1-ol
CID 124729995
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
2-[(2,6-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 60725889
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 103819962
3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163726
2-chloro-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114152086
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106162577
6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methylpyridine-3-carboxylic acid
CID 106161963
3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160757

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol (CID 103819994) is 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1cc(C)nc(C)n1.
What is the InChIKey of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is DPPSOTWGJBMGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7-5-11(14-9(3)12-7)13-8(2)10(6-15)16-4/h5,8,10,15H,6H2,1-4H3,(H,12,13,14).
What are the key properties of 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103819994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).