2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine

C9H16N4O2S — CID 135057276

IUPAC2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(N)cc(S(C)(=O)=O)n1
InChIInChI=1S/C9H16N4O2S/c1-4-13(5-2)9-11-7(10)6-8(12-9)16(3,14)15/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyIQUYSNTZHTUIAD-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.31
Rot. Bonds4

About 2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine

2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine (PubChem CID 135057276) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine
PubChem CID135057276
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(N)cc(S(C)(=O)=O)n1
InChIInChI=1S/C9H16N4O2S/c1-4-13(5-2)9-11-7(10)6-8(12-9)16(3,14)15/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyIQUYSNTZHTUIAD-UHFFFAOYSA-N
XLogP0.31
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine (CID 135057276) is 2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine is CCN(CC)c1nc(N)cc(S(C)(=O)=O)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine?
The InChIKey is IQUYSNTZHTUIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-4-13(5-2)9-11-7(10)6-8(12-9)16(3,14)15/h6H,4-5H2,1-3H3,(H2,10,11,12).
What are the key properties of 2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine?
2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine has a molecular weight of 244.32 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-methylsulfonylpyrimidine-2,4-diamine is sourced from PubChem (CID 135057276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).