[2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine

C8H9N5S — CID 107783157

IUPAC[2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(Sc2ncc[nH]2)nc1
InChIInChI=1S/C8H9N5S/c9-3-6-4-12-8(13-5-6)14-7-10-1-2-11-7/h1-2,4-5H,3,9H2,(H,10,11)
InChIKeyHQSXJGKMEYHYDK-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.81
Rot. Bonds3

About [2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine

[2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine (PubChem CID 107783157) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is [2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
PubChem CID107783157
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name[2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(Sc2ncc[nH]2)nc1
InChIInChI=1S/C8H9N5S/c9-3-6-4-12-8(13-5-6)14-7-10-1-2-11-7/h1-2,4-5H,3,9H2,(H,10,11)
InChIKeyHQSXJGKMEYHYDK-UHFFFAOYSA-N
XLogP0.81
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine
CID 107780968
[5-(1H-imidazol-2-ylsulfanyl)pyrazin-2-yl]methanamine
CID 107780969
[5-(1H-imidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 107780981
[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol
CID 107783417
4-(1H-imidazol-2-ylsulfanyl)benzene-1,2-diamine
CID 21482783
1-[6-(1H-imidazol-2-ylsulfanyl)-5-methyl-3-pyridinyl]butan-2-amine
CID 107783616
1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 107783602
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine
CID 164655152
1H-imidazol-2-yl thiohypobromite
CID 87059212
5-bromo-6-(1H-imidazol-2-ylsulfanyl)pyridin-3-amine
CID 107779451
2-(1H-imidazol-2-ylsulfanyl)-2-phenylethanamine
CID 107779655
5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline
CID 107779352

Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine (CID 107783157) is [2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine is NCc1cnc(Sc2ncc[nH]2)nc1.
What is the InChIKey of [2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine?
The InChIKey is HQSXJGKMEYHYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c9-3-6-4-12-8(13-5-6)14-7-10-1-2-11-7/h1-2,4-5H,3,9H2,(H,10,11).
What are the key properties of [2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine?
[2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine has a molecular weight of 207.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 107783157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).