4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine

C14H19N5O2S — CID 110090033

IUPAC4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
SMILESCc1ccnc(C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C14H19N5O2S/c1-11-5-6-15-14(17-11)12-4-3-7-19(8-12)22(20,21)13-9-18(2)10-16-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyPNAWXSNXOINGDK-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.09
Rot. Bonds3

About 4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine

4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine (PubChem CID 110090033) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
PubChem CID110090033
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
SMILESCc1ccnc(C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C14H19N5O2S/c1-11-5-6-15-14(17-11)12-4-3-7-19(8-12)22(20,21)13-9-18(2)10-16-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyPNAWXSNXOINGDK-UHFFFAOYSA-N
XLogP1.09
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine (CID 110090033) is 4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine is Cc1ccnc(C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1.
What is the InChIKey of 4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine?
The InChIKey is PNAWXSNXOINGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11-5-6-15-14(17-11)12-4-3-7-19(8-12)22(20,21)13-9-18(2)10-16-13/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine?
4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine has a molecular weight of 321.41 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine is sourced from PubChem (CID 110090033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).