2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine

C12H19N3O2S — CID 110269928

IUPAC2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine
SMILESCc1nccc(C2CCN(S(=O)(=O)C(C)C)C2)n1
InChIInChI=1S/C12H19N3O2S/c1-9(2)18(16,17)15-7-5-11(8-15)12-4-6-13-10(3)14-12/h4,6,9,11H,5,7-8H2,1-3H3
InChIKeySXGILGNCFGUQHX-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.31
Rot. Bonds3

About 2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine

2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine (PubChem CID 110269928) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine
PubChem CID110269928
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine
SMILESCc1nccc(C2CCN(S(=O)(=O)C(C)C)C2)n1
InChIInChI=1S/C12H19N3O2S/c1-9(2)18(16,17)15-7-5-11(8-15)12-4-6-13-10(3)14-12/h4,6,9,11H,5,7-8H2,1-3H3
InChIKeySXGILGNCFGUQHX-UHFFFAOYSA-N
XLogP1.31
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine (CID 110269928) is 2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine is Cc1nccc(C2CCN(S(=O)(=O)C(C)C)C2)n1.
What is the InChIKey of 2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine?
The InChIKey is SXGILGNCFGUQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9(2)18(16,17)15-7-5-11(8-15)12-4-6-13-10(3)14-12/h4,6,9,11H,5,7-8H2,1-3H3.
What are the key properties of 2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine?
2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine has a molecular weight of 269.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 110269928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).