4-cyclobutyl-6-ethynylpyrimidine

C10H10N2 — CID 122241553

IUPAC4-cyclobutyl-6-ethynylpyrimidine
SMILESC#Cc1cc(C2CCC2)ncn1
InChIInChI=1S/C10H10N2/c1-2-9-6-10(12-7-11-9)8-4-3-5-8/h1,6-8H,3-5H2
InChIKeyJMLMNWRENZSGCJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.73
Rot. Bonds1

About 4-cyclobutyl-6-ethynylpyrimidine

4-cyclobutyl-6-ethynylpyrimidine (PubChem CID 122241553) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-cyclobutyl-6-ethynylpyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-6-ethynylpyrimidine
PubChem CID122241553
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name4-cyclobutyl-6-ethynylpyrimidine
SMILESC#Cc1cc(C2CCC2)ncn1
InChIInChI=1S/C10H10N2/c1-2-9-6-10(12-7-11-9)8-4-3-5-8/h1,6-8H,3-5H2
InChIKeyJMLMNWRENZSGCJ-UHFFFAOYSA-N
XLogP1.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.73
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-cyclobutyl-6-ethynylpyrimidine?
The IUPAC name of 4-cyclobutyl-6-ethynylpyrimidine (CID 122241553) is 4-cyclobutyl-6-ethynylpyrimidine.
What is the SMILES notation for 4-cyclobutyl-6-ethynylpyrimidine?
The canonical SMILES for 4-cyclobutyl-6-ethynylpyrimidine is C#Cc1cc(C2CCC2)ncn1.
What is the InChIKey of 4-cyclobutyl-6-ethynylpyrimidine?
The InChIKey is JMLMNWRENZSGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-9-6-10(12-7-11-9)8-4-3-5-8/h1,6-8H,3-5H2.
What are the key properties of 4-cyclobutyl-6-ethynylpyrimidine?
4-cyclobutyl-6-ethynylpyrimidine has a molecular weight of 158.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-ethynylpyrimidine is sourced from PubChem (CID 122241553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).