4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine

C15H18N4O2S — CID 3811929

IUPAC4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCS(=O)(=O)Cc1cc(N2CCCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C15H18N4O2S/c1-22(20,21)11-13-10-14(19-8-2-3-9-19)18-15(17-13)12-4-6-16-7-5-12/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeySGDGSDPRWPCTHO-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.68
Rot. Bonds4

About 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine

4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 3811929) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine
PubChem CID3811929
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCS(=O)(=O)Cc1cc(N2CCCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C15H18N4O2S/c1-22(20,21)11-13-10-14(19-8-2-3-9-19)18-15(17-13)12-4-6-16-7-5-12/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeySGDGSDPRWPCTHO-UHFFFAOYSA-N
XLogP1.68
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine (CID 3811929) is 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine is CS(=O)(=O)Cc1cc(N2CCCC2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is SGDGSDPRWPCTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-22(20,21)11-13-10-14(19-8-2-3-9-19)18-15(17-13)12-4-6-16-7-5-12/h4-7,10H,2-3,8-9,11H2,1H3.
What are the key properties of 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine?
4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 318.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-2-pyridin-4-yl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 3811929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).