2-methyl-5-(3-methylbut-1-ynyl)pyrimidine

C10H12N2 — CID 135273972

IUPAC2-methyl-5-(3-methylbut-1-ynyl)pyrimidine
SMILESCc1ncc(C#CC(C)C)cn1
InChIInChI=1S/C10H12N2/c1-8(2)4-5-10-6-11-9(3)12-7-10/h6-8H,1-3H3
InChIKeyDPICBPCTWXQRGJ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.79
Rot. Bonds

About 2-methyl-5-(3-methylbut-1-ynyl)pyrimidine

2-methyl-5-(3-methylbut-1-ynyl)pyrimidine (PubChem CID 135273972) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-methyl-5-(3-methylbut-1-ynyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(3-methylbut-1-ynyl)pyrimidine
PubChem CID135273972
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-methyl-5-(3-methylbut-1-ynyl)pyrimidine
SMILESCc1ncc(C#CC(C)C)cn1
InChIInChI=1S/C10H12N2/c1-8(2)4-5-10-6-11-9(3)12-7-10/h6-8H,1-3H3
InChIKeyDPICBPCTWXQRGJ-UHFFFAOYSA-N
XLogP1.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.79
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 2-methyl-5-(3-methylbut-1-ynyl)pyrimidine?
The IUPAC name of 2-methyl-5-(3-methylbut-1-ynyl)pyrimidine (CID 135273972) is 2-methyl-5-(3-methylbut-1-ynyl)pyrimidine.
What is the SMILES notation for 2-methyl-5-(3-methylbut-1-ynyl)pyrimidine?
The canonical SMILES for 2-methyl-5-(3-methylbut-1-ynyl)pyrimidine is Cc1ncc(C#CC(C)C)cn1.
What is the InChIKey of 2-methyl-5-(3-methylbut-1-ynyl)pyrimidine?
The InChIKey is DPICBPCTWXQRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8(2)4-5-10-6-11-9(3)12-7-10/h6-8H,1-3H3.
What are the key properties of 2-methyl-5-(3-methylbut-1-ynyl)pyrimidine?
2-methyl-5-(3-methylbut-1-ynyl)pyrimidine has a molecular weight of 160.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylbut-1-ynyl)pyrimidine is sourced from PubChem (CID 135273972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).