2-methylsulfanylpyrimidine-4,5-diamine

C5H8N4S — CID 23422084

IUPAC2-methylsulfanylpyrimidine-4,5-diamine
SMILESCSc1ncc(N)c(N)n1
InChIInChI=1S/C5H8N4S/c1-10-5-8-2-3(6)4(7)9-5/h2H,6H2,1H3,(H2,7,8,9)
InChIKeyPOCJMDVPRFEHNI-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.36
Rot. Bonds1

About 2-methylsulfanylpyrimidine-4,5-diamine

2-methylsulfanylpyrimidine-4,5-diamine (PubChem CID 23422084) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-methylsulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-methylsulfanylpyrimidine-4,5-diamine
PubChem CID23422084
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name2-methylsulfanylpyrimidine-4,5-diamine
SMILESCSc1ncc(N)c(N)n1
InChIInChI=1S/C5H8N4S/c1-10-5-8-2-3(6)4(7)9-5/h2H,6H2,1H3,(H2,7,8,9)
InChIKeyPOCJMDVPRFEHNI-UHFFFAOYSA-N
XLogP0.36
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyrimidine-4,5-diamine?
The IUPAC name of 2-methylsulfanylpyrimidine-4,5-diamine (CID 23422084) is 2-methylsulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-methylsulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 2-methylsulfanylpyrimidine-4,5-diamine is CSc1ncc(N)c(N)n1.
What is the InChIKey of 2-methylsulfanylpyrimidine-4,5-diamine?
The InChIKey is POCJMDVPRFEHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-10-5-8-2-3(6)4(7)9-5/h2H,6H2,1H3,(H2,7,8,9).
What are the key properties of 2-methylsulfanylpyrimidine-4,5-diamine?
2-methylsulfanylpyrimidine-4,5-diamine has a molecular weight of 156.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 23422084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).