6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine

C15H19N5O2S — CID 102604161

IUPAC6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
SMILESCc1cc(N)nc(C2(C)CCCN2S(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C15H19N5O2S/c1-11-9-13(16)19-14(18-11)15(2)6-4-8-20(15)23(21,22)12-5-3-7-17-10-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H2,16,18,19)
InChIKeyVTQLHFYRLFXKMW-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.46
Rot. Bonds3

About 6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine

6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine (PubChem CID 102604161) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
PubChem CID102604161
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
SMILESCc1cc(N)nc(C2(C)CCCN2S(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C15H19N5O2S/c1-11-9-13(16)19-14(18-11)15(2)6-4-8-20(15)23(21,22)12-5-3-7-17-10-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H2,16,18,19)
InChIKeyVTQLHFYRLFXKMW-UHFFFAOYSA-N
XLogP1.46
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine (CID 102604161) is 6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine is Cc1cc(N)nc(C2(C)CCCN2S(=O)(=O)c2cccnc2)n1.
What is the InChIKey of 6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
The InChIKey is VTQLHFYRLFXKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-11-9-13(16)19-14(18-11)15(2)6-4-8-20(15)23(21,22)12-5-3-7-17-10-12/h3,5,7,9-10H,4,6,8H2,1-2H3,(H2,16,18,19).
What are the key properties of 6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine?
6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine has a molecular weight of 333.42 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 102604161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).