2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol

C10H17N3OS — CID 80989787

IUPAC2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol
SMILESCc1c(N)nc(C(C)C)nc1SCCO
InChIInChI=1S/C10H17N3OS/c1-6(2)9-12-8(11)7(3)10(13-9)15-5-4-14/h6,14H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyAHJJKEMKDYUFRM-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.58
Rot. Bonds4

About 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol

2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol (PubChem CID 80989787) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol
PubChem CID80989787
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol
SMILESCc1c(N)nc(C(C)C)nc1SCCO
InChIInChI=1S/C10H17N3OS/c1-6(2)9-12-8(11)7(3)10(13-9)15-5-4-14/h6,14H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyAHJJKEMKDYUFRM-UHFFFAOYSA-N
XLogP1.58
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-butan-2-ylsulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80991295
5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991093
5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80989981
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
2,5-dimethyl-6-propylsulfanylpyrimidin-4-amine
CID 80887950
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207586
3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80996563
5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107766053
6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995276
[2-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80992379
5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine
CID 80991169
2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol
CID 80995863

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol (CID 80989787) is 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol is Cc1c(N)nc(C(C)C)nc1SCCO.
What is the InChIKey of 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol?
The InChIKey is AHJJKEMKDYUFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)9-12-8(11)7(3)10(13-9)15-5-4-14/h6,14H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol?
2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol has a molecular weight of 227.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 80989787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).