2-methyl-5-methylsulfonylpyrimidine-4,6-diamine

C6H10N4O2S — CID 20729792

IUPAC2-methyl-5-methylsulfonylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(S(C)(=O)=O)c(N)n1
InChIInChI=1S/C6H10N4O2S/c1-3-9-5(7)4(6(8)10-3)13(2,11)12/h1-2H3,(H4,7,8,9,10)
InChIKeyGSCUJKVUEIGJJA-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.65
Rot. Bonds1

About 2-methyl-5-methylsulfonylpyrimidine-4,6-diamine

2-methyl-5-methylsulfonylpyrimidine-4,6-diamine (PubChem CID 20729792) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-5-methylsulfonylpyrimidine-4,6-diamine
PubChem CID20729792
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name2-methyl-5-methylsulfonylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(S(C)(=O)=O)c(N)n1
InChIInChI=1S/C6H10N4O2S/c1-3-9-5(7)4(6(8)10-3)13(2,11)12/h1-2H3,(H4,7,8,9,10)
InChIKeyGSCUJKVUEIGJJA-UHFFFAOYSA-N
XLogP-0.65
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-5-methylsulfonylpyrimidine-4,6-diamine (CID 20729792) is 2-methyl-5-methylsulfonylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-5-methylsulfonylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-5-methylsulfonylpyrimidine-4,6-diamine is Cc1nc(N)c(S(C)(=O)=O)c(N)n1.
What is the InChIKey of 2-methyl-5-methylsulfonylpyrimidine-4,6-diamine?
The InChIKey is GSCUJKVUEIGJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-3-9-5(7)4(6(8)10-3)13(2,11)12/h1-2H3,(H4,7,8,9,10).
What are the key properties of 2-methyl-5-methylsulfonylpyrimidine-4,6-diamine?
2-methyl-5-methylsulfonylpyrimidine-4,6-diamine has a molecular weight of 202.24 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonylpyrimidine-4,6-diamine is sourced from PubChem (CID 20729792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).