2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine

C8H10N2O2S — CID 119084631

IUPAC2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine
SMILESC/C=C/c1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C8H10N2O2S/c1-3-4-7-5-9-8(10-6-7)13(2,11)12/h3-6H,1-2H3/b4-3+
InChIKeyOIFQNPULKDUXFZ-ONEGZZNKSA-N
MW198.25 g/mol
LogP0.91
Rot. Bonds2

About 2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine

2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine (PubChem CID 119084631) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine
PubChem CID119084631
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine
SMILESC/C=C/c1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C8H10N2O2S/c1-3-4-7-5-9-8(10-6-7)13(2,11)12/h3-6H,1-2H3/b4-3+
InChIKeyOIFQNPULKDUXFZ-ONEGZZNKSA-N
XLogP0.91
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine?
The IUPAC name of 2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine (CID 119084631) is 2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine?
The canonical SMILES for 2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine is C/C=C/c1cnc(S(C)(=O)=O)nc1.
What is the InChIKey of 2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine?
The InChIKey is OIFQNPULKDUXFZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-3-4-7-5-9-8(10-6-7)13(2,11)12/h3-6H,1-2H3/b4-3+.
What are the key properties of 2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine?
2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine has a molecular weight of 198.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-[(E)-prop-1-enyl]pyrimidine is sourced from PubChem (CID 119084631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).