6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine

C15H18N4O2S — CID 110091079

IUPAC6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(C2CCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H18N4O2S/c1-11-17-13(10-15(16)18-11)14-8-5-9-19(14)22(20,21)12-6-3-2-4-7-12/h2-4,6-7,10,14H,5,8-9H2,1H3,(H2,16,17,18)
InChIKeyJZUMDYAUXSSDOS-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.89
Rot. Bonds3

About 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine

6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine (PubChem CID 110091079) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine
PubChem CID110091079
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(C2CCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C15H18N4O2S/c1-11-17-13(10-15(16)18-11)14-8-5-9-19(14)22(20,21)12-6-3-2-4-7-12/h2-4,6-7,10,14H,5,8-9H2,1H3,(H2,16,17,18)
InChIKeyJZUMDYAUXSSDOS-UHFFFAOYSA-N
XLogP1.89
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine (CID 110091079) is 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine is Cc1nc(N)cc(C2CCCN2S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine?
The InChIKey is JZUMDYAUXSSDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-11-17-13(10-15(16)18-11)14-8-5-9-19(14)22(20,21)12-6-3-2-4-7-12/h2-4,6-7,10,14H,5,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine?
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine has a molecular weight of 318.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 110091079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).