2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine

C13H12N4 — CID 122242298

IUPAC2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine
SMILESC(#Cc1ccnc(C2CC2)n1)Cn1ccnc1
InChIInChI=1S/C13H12N4/c1(8-17-9-7-14-10-17)2-12-5-6-15-13(16-12)11-3-4-11/h5-7,9-11H,3-4,8H2
InChIKeyFIVMGODYNDALJL-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.60
Rot. Bonds2

About 2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine

2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine (PubChem CID 122242298) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine
PubChem CID122242298
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine
SMILESC(#Cc1ccnc(C2CC2)n1)Cn1ccnc1
InChIInChI=1S/C13H12N4/c1(8-17-9-7-14-10-17)2-12-5-6-15-13(16-12)11-3-4-11/h5-7,9-11H,3-4,8H2
InChIKeyFIVMGODYNDALJL-UHFFFAOYSA-N
XLogP1.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine?
The IUPAC name of 2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine (CID 122242298) is 2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine is C(#Cc1ccnc(C2CC2)n1)Cn1ccnc1.
What is the InChIKey of 2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine?
The InChIKey is FIVMGODYNDALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1(8-17-9-7-14-10-17)2-12-5-6-15-13(16-12)11-3-4-11/h5-7,9-11H,3-4,8H2.
What are the key properties of 2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine?
2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine has a molecular weight of 224.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-imidazol-1-ylprop-1-ynyl)pyrimidine is sourced from PubChem (CID 122242298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).