2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol

C12H21N3OS — CID 65041115

IUPAC2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
SMILESCc1nc(SCCC(C)(N)CO)nc(C)c1C
InChIInChI=1S/C12H21N3OS/c1-8-9(2)14-11(15-10(8)3)17-6-5-12(4,13)7-16/h16H,5-7,13H2,1-4H3
InChIKeyLRVUHWUEVWJQGS-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.59
Rot. Bonds5

About 2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol

2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol (PubChem CID 65041115) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
PubChem CID65041115
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
SMILESCc1nc(SCCC(C)(N)CO)nc(C)c1C
InChIInChI=1S/C12H21N3OS/c1-8-9(2)14-11(15-10(8)3)17-6-5-12(4,13)7-16/h16H,5-7,13H2,1-4H3
InChIKeyLRVUHWUEVWJQGS-UHFFFAOYSA-N
XLogP1.59
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol (CID 65041115) is 2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol is Cc1nc(SCCC(C)(N)CO)nc(C)c1C.
What is the InChIKey of 2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol?
The InChIKey is LRVUHWUEVWJQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-9(2)14-11(15-10(8)3)17-6-5-12(4,13)7-16/h16H,5-7,13H2,1-4H3.
What are the key properties of 2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol?
2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 65041115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).