4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine

C6H10N4S2 — CID 14893053

IUPAC4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine
SMILESCSc1nc(N)nc(SC)c1N
InChIInChI=1S/C6H10N4S2/c1-11-4-3(7)5(12-2)10-6(8)9-4/h7H2,1-2H3,(H2,8,9,10)
InChIKeyNIKGKTKJDOEWHA-UHFFFAOYSA-N
MW202.31 g/mol
LogP1.08
Rot. Bonds2

About 4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine

4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine (PubChem CID 14893053) has the molecular formula C6H10N4S2 and a molecular weight of 202.31 g/mol. Its IUPAC name is 4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine
PubChem CID14893053
Molecular FormulaC6H10N4S2
Molecular Weight202.31 g/mol
Exact Mass202.03
IUPAC Name4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine
SMILESCSc1nc(N)nc(SC)c1N
InChIInChI=1S/C6H10N4S2/c1-11-4-3(7)5(12-2)10-6(8)9-4/h7H2,1-2H3,(H2,8,9,10)
InChIKeyNIKGKTKJDOEWHA-UHFFFAOYSA-N
XLogP1.08
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine?
The IUPAC name of 4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine (CID 14893053) is 4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine?
The canonical SMILES for 4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine is CSc1nc(N)nc(SC)c1N.
What is the InChIKey of 4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine?
The InChIKey is NIKGKTKJDOEWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S2/c1-11-4-3(7)5(12-2)10-6(8)9-4/h7H2,1-2H3,(H2,8,9,10).
What are the key properties of 4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine?
4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine has a molecular weight of 202.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(methylsulfanyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 14893053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).