4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine

C12H12N2 — CID 11275431

IUPAC4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine
SMILESCC#Cc1nc(C)c(C)c(C#CC)n1
InChIInChI=1S/C12H12N2/c1-5-7-11-9(3)10(4)13-12(14-11)8-6-2/h1-4H3
InChIKeyGTNJNZZEZDHXBE-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.84
Rot. Bonds

About 4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine

4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine (PubChem CID 11275431) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine
PubChem CID11275431
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine
SMILESCC#Cc1nc(C)c(C)c(C#CC)n1
InChIInChI=1S/C12H12N2/c1-5-7-11-9(3)10(4)13-12(14-11)8-6-2/h1-4H3
InChIKeyGTNJNZZEZDHXBE-UHFFFAOYSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine?
The IUPAC name of 4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine (CID 11275431) is 4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine.
What is the SMILES notation for 4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine?
The canonical SMILES for 4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine is CC#Cc1nc(C)c(C)c(C#CC)n1.
What is the InChIKey of 4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine?
The InChIKey is GTNJNZZEZDHXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-5-7-11-9(3)10(4)13-12(14-11)8-6-2/h1-4H3.
What are the key properties of 4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine?
4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine has a molecular weight of 184.24 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,6-bis(prop-1-ynyl)pyrimidine is sourced from PubChem (CID 11275431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).