2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine

C8H10N8S2 — CID 139075208

IUPAC2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C8H10N8S2/c9-3-1-4(10)14-7(13-3)17-18-8-15-5(11)2-6(12)16-8/h1-2H,(H4,9,10,13,14)(H4,11,12,15,16)
InChIKeyYNCRAMFAMLEHDS-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.39
Rot. Bonds3

About 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine

2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine (PubChem CID 139075208) has the molecular formula C8H10N8S2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine
PubChem CID139075208
Molecular FormulaC8H10N8S2
Molecular Weight282.36 g/mol
Exact Mass282.05
IUPAC Name2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C8H10N8S2/c9-3-1-4(10)14-7(13-3)17-18-8-15-5(11)2-6(12)16-8/h1-2H,(H4,9,10,13,14)(H4,11,12,15,16)
InChIKeyYNCRAMFAMLEHDS-UHFFFAOYSA-N
XLogP0.39
TPSA155.64 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine (CID 139075208) is 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine is Nc1cc(N)nc(SSc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine?
The InChIKey is YNCRAMFAMLEHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8S2/c9-3-1-4(10)14-7(13-3)17-18-8-15-5(11)2-6(12)16-8/h1-2H,(H4,9,10,13,14)(H4,11,12,15,16).
What are the key properties of 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine?
2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine has a molecular weight of 282.36 g/mol, XLogP of 0.39, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diaminopyrimidin-2-yl)disulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 139075208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).