2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine

C8H9N5S — CID 130608073

IUPAC2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESNc1ccnc(CSc2ncc[nH]2)n1
InChIInChI=1S/C8H9N5S/c9-6-1-2-10-7(13-6)5-14-8-11-3-4-12-8/h1-4H,5H2,(H,11,12)(H2,9,10,13)
InChIKeyPSPFVLRJLWUFHF-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.07
Rot. Bonds3

About 2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine

2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 130608073) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine
PubChem CID130608073
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESNc1ccnc(CSc2ncc[nH]2)n1
InChIInChI=1S/C8H9N5S/c9-6-1-2-10-7(13-6)5-14-8-11-3-4-12-8/h1-4H,5H2,(H,11,12)(H2,9,10,13)
InChIKeyPSPFVLRJLWUFHF-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine (CID 130608073) is 2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine is Nc1ccnc(CSc2ncc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is PSPFVLRJLWUFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c9-6-1-2-10-7(13-6)5-14-8-11-3-4-12-8/h1-4H,5H2,(H,11,12)(H2,9,10,13).
What are the key properties of 2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
2-(1H-imidazol-2-ylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 207.26 g/mol, XLogP of 1.07, 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-ylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 130608073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).