4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine

C13H17N5O2S — CID 110101300

IUPAC4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine
SMILESCS(=O)(=O)N1CCC(Cc2cc(-c3ccn[nH]3)ncn2)C1
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)18-5-3-10(8-18)6-11-7-13(15-9-14-11)12-2-4-16-17-12/h2,4,7,9-10H,3,5-6,8H2,1H3,(H,16,17)
InChIKeyWLEZVCKODLFPHU-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.69
Rot. Bonds4

About 4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine

4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine (PubChem CID 110101300) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine
PubChem CID110101300
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine
SMILESCS(=O)(=O)N1CCC(Cc2cc(-c3ccn[nH]3)ncn2)C1
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)18-5-3-10(8-18)6-11-7-13(15-9-14-11)12-2-4-16-17-12/h2,4,7,9-10H,3,5-6,8H2,1H3,(H,16,17)
InChIKeyWLEZVCKODLFPHU-UHFFFAOYSA-N
XLogP0.69
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 110101065
4-(5-methyl-1H-pyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101299
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
CID 125001125
4-(2-methylpyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101295
4-[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 124972485
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
2-[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 125014808
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124964395
4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124976471
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
4,5-dimethyl-2-[6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 132765382
N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
CID 110099457

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine?
The IUPAC name of 4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine (CID 110101300) is 4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine.
What is the SMILES notation for 4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine?
The canonical SMILES for 4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine is CS(=O)(=O)N1CCC(Cc2cc(-c3ccn[nH]3)ncn2)C1.
What is the InChIKey of 4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine?
The InChIKey is WLEZVCKODLFPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-21(19,20)18-5-3-10(8-18)6-11-7-13(15-9-14-11)12-2-4-16-17-12/h2,4,7,9-10H,3,5-6,8H2,1H3,(H,16,17).
What are the key properties of 4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine?
4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine has a molecular weight of 307.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine is sourced from PubChem (CID 110101300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).