N-ethyl-6-methylsulfonylpyrimidin-4-amine

C7H11N3O2S — CID 125499129

IUPACN-ethyl-6-methylsulfonylpyrimidin-4-amine
SMILESCCNc1cc(S(C)(=O)=O)ncn1
InChIInChI=1S/C7H11N3O2S/c1-3-8-6-4-7(10-5-9-6)13(2,11)12/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyVASKXYSNWKIMED-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.31
Rot. Bonds3

About N-ethyl-6-methylsulfonylpyrimidin-4-amine

N-ethyl-6-methylsulfonylpyrimidin-4-amine (PubChem CID 125499129) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-ethyl-6-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methylsulfonylpyrimidin-4-amine
PubChem CID125499129
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-ethyl-6-methylsulfonylpyrimidin-4-amine
SMILESCCNc1cc(S(C)(=O)=O)ncn1
InChIInChI=1S/C7H11N3O2S/c1-3-8-6-4-7(10-5-9-6)13(2,11)12/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyVASKXYSNWKIMED-UHFFFAOYSA-N
XLogP0.31
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methylsulfonylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methylsulfonylpyrimidin-4-amine (CID 125499129) is N-ethyl-6-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methylsulfonylpyrimidin-4-amine is CCNc1cc(S(C)(=O)=O)ncn1.
What is the InChIKey of N-ethyl-6-methylsulfonylpyrimidin-4-amine?
The InChIKey is VASKXYSNWKIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-8-6-4-7(10-5-9-6)13(2,11)12/h4-5H,3H2,1-2H3,(H,8,9,10).
What are the key properties of N-ethyl-6-methylsulfonylpyrimidin-4-amine?
N-ethyl-6-methylsulfonylpyrimidin-4-amine has a molecular weight of 201.25 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 125499129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).