N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine

C9H13N3OS2 — CID 80891476

IUPACN-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
SMILESCNc1cc(SC2COC2)nc(SC)n1
InChIInChI=1S/C9H13N3OS2/c1-10-7-3-8(12-9(11-7)14-2)15-6-4-13-5-6/h3,6H,4-5H2,1-2H3,(H,10,11,12)
InChIKeyGYOVPVUTUQSIFK-UHFFFAOYSA-N
MW243.36 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine

N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80891476) has the molecular formula C9H13N3OS2 and a molecular weight of 243.36 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
PubChem CID80891476
Molecular FormulaC9H13N3OS2
Molecular Weight243.36 g/mol
Exact Mass243.05
IUPAC NameN-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
SMILESCNc1cc(SC2COC2)nc(SC)n1
InChIInChI=1S/C9H13N3OS2/c1-10-7-3-8(12-9(11-7)14-2)15-6-4-13-5-6/h3,6H,4-5H2,1-2H3,(H,10,11,12)
InChIKeyGYOVPVUTUQSIFK-UHFFFAOYSA-N
XLogP1.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80964045
N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine
CID 80888612
2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80965162
4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826920
4-N-(2,2-dimethylcyclopropyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80816880
6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80888990
N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886547
6-[(4-chlorophenyl)methylsulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 114793040
4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841108
2-methyl-6-(oxetan-3-ylsulfanyl)pyridine-4-carboximidamide
CID 114769687
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine (CID 80891476) is N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine is CNc1cc(SC2COC2)nc(SC)n1.
What is the InChIKey of N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is GYOVPVUTUQSIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS2/c1-10-7-3-8(12-9(11-7)14-2)15-6-4-13-5-6/h3,6H,4-5H2,1-2H3,(H,10,11,12).
What are the key properties of N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 243.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80891476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).