5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine

C9H13N3OS — CID 164644558

IUPAC5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine
SMILESCOc1c(C)nc(C2CSC2)nc1N
InChIInChI=1S/C9H13N3OS/c1-5-7(13-2)8(10)12-9(11-5)6-3-14-4-6/h6H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyIQIVQGTUMIMNKY-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.21
Rot. Bonds2

About 5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine

5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine (PubChem CID 164644558) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine
PubChem CID164644558
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine
SMILESCOc1c(C)nc(C2CSC2)nc1N
InChIInChI=1S/C9H13N3OS/c1-5-7(13-2)8(10)12-9(11-5)6-3-14-4-6/h6H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyIQIVQGTUMIMNKY-UHFFFAOYSA-N
XLogP1.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2,6-dimethylpyrimidin-4-amine
CID 71436143
[5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine
CID 164647254
4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 164647207
2-cyclopropyl-5-iodo-6-methylpyrimidin-4-amine
CID 66307285
5-methoxy-6-methyl-2-(thietan-3-yl)-1H-pyrimidine-4-thione
CID 164648543
2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 103434518
4-propyl-6-(thietan-3-yl)-1,3,5-triazin-2-amine
CID 164648458
2-cyclobutyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305298
5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65401369
4-fluoro-5-methoxy-6-methyl-2-(2-methylcyclopropyl)pyrimidine
CID 164660016
2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 65415438
5-ethyl-6-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 62191021

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine (CID 164644558) is 5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine is COc1c(C)nc(C2CSC2)nc1N.
What is the InChIKey of 5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine?
The InChIKey is IQIVQGTUMIMNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-5-7(13-2)8(10)12-9(11-5)6-3-14-4-6/h6H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine?
5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine has a molecular weight of 211.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 164644558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).