2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine

C10H14N2O2S — CID 175122624

IUPAC2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine
SMILESC=C(C)C(C)CS(=O)(=O)c1ncccn1
InChIInChI=1S/C10H14N2O2S/c1-8(2)9(3)7-15(13,14)10-11-5-4-6-12-10/h4-6,9H,1,7H2,2-3H3
InChIKeyVCMXOIPVYSKRLQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.46
Rot. Bonds4

About 2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine

2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine (PubChem CID 175122624) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine.

Molecular Properties

Compound Name2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine
PubChem CID175122624
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine
SMILESC=C(C)C(C)CS(=O)(=O)c1ncccn1
InChIInChI=1S/C10H14N2O2S/c1-8(2)9(3)7-15(13,14)10-11-5-4-6-12-10/h4-6,9H,1,7H2,2-3H3
InChIKeyVCMXOIPVYSKRLQ-UHFFFAOYSA-N
XLogP1.46
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine?
The IUPAC name of 2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine (CID 175122624) is 2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine.
What is the SMILES notation for 2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine?
The canonical SMILES for 2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine is C=C(C)C(C)CS(=O)(=O)c1ncccn1.
What is the InChIKey of 2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine?
The InChIKey is VCMXOIPVYSKRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8(2)9(3)7-15(13,14)10-11-5-4-6-12-10/h4-6,9H,1,7H2,2-3H3.
What are the key properties of 2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine?
2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine has a molecular weight of 226.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine is sourced from PubChem (CID 175122624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).