4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine

C11H19N5O2S — CID 50950229

IUPAC4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine
SMILESCNc1ccnc(NCCS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C11H19N5O2S/c1-12-10-4-5-13-11(15-10)14-6-9-19(17,18)16-7-2-3-8-16/h4-5H,2-3,6-9H2,1H3,(H2,12,13,14,15)
InChIKeyRLNYXPDHQGGNQJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.36
Rot. Bonds6

About 4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine

4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine (PubChem CID 50950229) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine
PubChem CID50950229
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine
SMILESCNc1ccnc(NCCS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C11H19N5O2S/c1-12-10-4-5-13-11(15-10)14-6-9-19(17,18)16-7-2-3-8-16/h4-5H,2-3,6-9H2,1H3,(H2,12,13,14,15)
InChIKeyRLNYXPDHQGGNQJ-UHFFFAOYSA-N
XLogP0.36
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine (CID 50950229) is 4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine is CNc1ccnc(NCCS(=O)(=O)N2CCCC2)n1.
What is the InChIKey of 4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine?
The InChIKey is RLNYXPDHQGGNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-12-10-4-5-13-11(15-10)14-6-9-19(17,18)16-7-2-3-8-16/h4-5H,2-3,6-9H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine has a molecular weight of 285.37 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 50950229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).