2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine

C9H14N4S2 — CID 13394193

IUPAC2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCSCC2)n1
InChIInChI=1S/C9H14N4S2/c1-14-9-11-7(10)6-8(12-9)13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyMVLNIKMFQXJZAX-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.33
Rot. Bonds2

About 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine

2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine (PubChem CID 13394193) has the molecular formula C9H14N4S2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine
PubChem CID13394193
Molecular FormulaC9H14N4S2
Molecular Weight242.37 g/mol
Exact Mass242.07
IUPAC Name2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCSCC2)n1
InChIInChI=1S/C9H14N4S2/c1-14-9-11-7(10)6-8(12-9)13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyMVLNIKMFQXJZAX-UHFFFAOYSA-N
XLogP1.33
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine 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-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
2-Methylthiopyrimidine-4,6-diamine
CID 70497
2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 857392
2,2'-(Butane-1,4-diyldisulfanediyl)bis(6-imino-1,6-dihydropyrimidin-4-amine)
CID 2187682
2-(2-Piperidin-1-yl-ethylsulfanyl)-pyrimidine-4,6-diamine
CID 649133
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 652687
[(4,6-Diamino-2-pyrimidinyl)sulfanyl]acetonitrile
CID 3167959
4-Pyrimidinamine, 2,2'-(1,3-propanediylbis(thio))bis-
CID 3078954
Thiazolo(3,2-a)pyrimidin-4-ium, 2,3-dihydro-5,7-diamino-, bromide
CID 13285547
2H-Pyrimido(2,1-b)thiazin-5-ium, 3,4-dihydro-6,8-diamino-, chloride
CID 13285549
4,6-Pyrimidinediamine, 2,2'-(1,5-pentanediylbis(thio))bis-
CID 13285555
2,2'-(Hexane-1,6-diyldisulfanediyl)bis(6-imino-1,6-dihydropyrimidin-4-amine)
CID 13285556

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine (CID 13394193) is 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine is CSc1nc(N)cc(N2CCSCC2)n1.
What is the InChIKey of 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
The InChIKey is MVLNIKMFQXJZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S2/c1-14-9-11-7(10)6-8(12-9)13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine?
2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine has a molecular weight of 242.37 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 13394193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).