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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Related Compounds

2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95844644
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 124969146
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
2-methyl-N-(6-methyl-2-pyridinyl)-6-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrimidin-4-amine
CID 95823853
4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine
CID 110269895
4-(2-methylpyrimidin-4-yl)cyclohexan-1-ol
CID 139330455
N,N-dimethyl-2-(2-methylpyrimidin-4-yl)morpholine-4-sulfonamide
CID 110096221
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
N-(6-methylheptan-2-yl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 122567299
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261
2-methyl-4-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-6-(2-propan-2-ylpyrazol-3-yl)pyrimidine
CID 124957097

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).