2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine

C9H10N4S2 — CID 61296607

IUPAC2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2ccsc2)n1
InChIInChI=1S/C9H10N4S2/c10-7-3-8(11)13-9(12-7)15-5-6-1-2-14-4-6/h1-4H,5H2,(H4,10,11,12,13)
InChIKeyHJOZVHMQHXOBHW-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.99
Rot. Bonds3

About 2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine

2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 61296607) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID61296607
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2ccsc2)n1
InChIInChI=1S/C9H10N4S2/c10-7-3-8(11)13-9(12-7)15-5-6-1-2-14-4-6/h1-4H,5H2,(H4,10,11,12,13)
InChIKeyHJOZVHMQHXOBHW-UHFFFAOYSA-N
XLogP1.99
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine (CID 61296607) is 2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCc2ccsc2)n1.
What is the InChIKey of 2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is HJOZVHMQHXOBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c10-7-3-8(11)13-9(12-7)15-5-6-1-2-14-4-6/h1-4H,5H2,(H4,10,11,12,13).
What are the key properties of 2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine?
2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 238.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 61296607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).