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

C14H16N4O2S — CID 110103731

IUPAC4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
SMILESCc1ccnc(C2CCN(S(=O)(=O)c3cccnc3)C2)n1
InChIInChI=1S/C14H16N4O2S/c1-11-4-7-16-14(17-11)12-5-8-18(10-12)21(19,20)13-3-2-6-15-9-13/h2-4,6-7,9,12H,5,8,10H2,1H3
InChIKeyKYNGMVQFHFQSGD-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.36
Rot. Bonds3

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

4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine (PubChem CID 110103731) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
PubChem CID110103731
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
SMILESCc1ccnc(C2CCN(S(=O)(=O)c3cccnc3)C2)n1
InChIInChI=1S/C14H16N4O2S/c1-11-4-7-16-14(17-11)12-5-8-18(10-12)21(19,20)13-3-2-6-15-9-13/h2-4,6-7,9,12H,5,8,10H2,1H3
InChIKeyKYNGMVQFHFQSGD-UHFFFAOYSA-N
XLogP1.36
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
CID 175652445
2-(4-methylpyrimidin-2-yl)-4-pyridin-3-ylsulfonylmorpholine
CID 110115437
2-methyl-6-[(3R)-1-pyridin-3-ylsulfonylpiperidin-3-yl]pyrazine
CID 125024782
2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine
CID 124949714
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
N-methyl-6-(1-pyridin-3-ylsulfonylpiperidin-4-yl)pyrazin-2-amine
CID 95828952
2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416502
4,6-dimethyl-2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]pyrimidine
CID 175652484
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629708
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine (CID 110103731) is 4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine is Cc1ccnc(C2CCN(S(=O)(=O)c3cccnc3)C2)n1.
What is the InChIKey of 4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine?
The InChIKey is KYNGMVQFHFQSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-11-4-7-16-14(17-11)12-5-8-18(10-12)21(19,20)13-3-2-6-15-9-13/h2-4,6-7,9,12H,5,8,10H2,1H3.
What are the key properties of 4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine?
4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine has a molecular weight of 304.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 110103731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).