3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol

C9H14N4OS — CID 80856633

IUPAC3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol
SMILESCSc1nc(N)cc(NC2CC(O)C2)n1
InChIInChI=1S/C9H14N4OS/c1-15-9-12-7(10)4-8(13-9)11-5-2-6(14)3-5/h4-6,14H,2-3H2,1H3,(H3,10,11,12,13)
InChIKeyJWSQWNDHRYASRU-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.72
Rot. Bonds3

About 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol

3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol (PubChem CID 80856633) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol
PubChem CID80856633
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol
SMILESCSc1nc(N)cc(NC2CC(O)C2)n1
InChIInChI=1S/C9H14N4OS/c1-15-9-12-7(10)4-8(13-9)11-5-2-6(14)3-5/h4-6,14H,2-3H2,1H3,(H3,10,11,12,13)
InChIKeyJWSQWNDHRYASRU-UHFFFAOYSA-N
XLogP0.72
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol 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

4-N-(3-methylcyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 114541902
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 80958339
2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80807984
4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841108
2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766259
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80840347
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856635
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80782716
N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80915423
6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83872056
4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826920

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol (CID 80856633) is 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol is CSc1nc(N)cc(NC2CC(O)C2)n1.
What is the InChIKey of 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol?
The InChIKey is JWSQWNDHRYASRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-15-9-12-7(10)4-8(13-9)11-5-2-6(14)3-5/h4-6,14H,2-3H2,1H3,(H3,10,11,12,13).
What are the key properties of 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol?
3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol has a molecular weight of 226.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 80856633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).