4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine

C14H19N5O2S — CID 95825017

IUPAC4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine
SMILESCS(=O)(=O)N1CCC[C@@H]1CCc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C14H19N5O2S/c1-22(20,21)19-7-2-3-13(19)5-4-12-9-14(17-10-16-12)18-8-6-15-11-18/h6,8-11,13H,2-5,7H2,1H3/t13-/m1/s1
InChIKeySDMMKDDXGJZLGN-CYBMUJFWSA-N
MW321.41 g/mol
LogP1.02
Rot. Bonds5

About 4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine

4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine (PubChem CID 95825017) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine
PubChem CID95825017
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine
SMILESCS(=O)(=O)N1CCC[C@@H]1CCc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C14H19N5O2S/c1-22(20,21)19-7-2-3-13(19)5-4-12-9-14(17-10-16-12)18-8-6-15-11-18/h6,8-11,13H,2-5,7H2,1H3/t13-/m1/s1
InChIKeySDMMKDDXGJZLGN-CYBMUJFWSA-N
XLogP1.02
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine (CID 95825017) is 4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine is CS(=O)(=O)N1CCC[C@@H]1CCc1cc(-n2ccnc2)ncn1.
What is the InChIKey of 4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine?
The InChIKey is SDMMKDDXGJZLGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-22(20,21)19-7-2-3-13(19)5-4-12-9-14(17-10-16-12)18-8-6-15-11-18/h6,8-11,13H,2-5,7H2,1H3/t13-/m1/s1.
What are the key properties of 4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine?
4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine has a molecular weight of 321.41 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine is sourced from PubChem (CID 95825017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).