4-(2-ethylimidazol-1-yl)pyrimidine

C9H10N4 — CID 63812306

IUPAC4-(2-ethylimidazol-1-yl)pyrimidine
SMILESCCc1nccn1-c1ccncn1
InChIInChI=1S/C9H10N4/c1-2-8-11-5-6-13(8)9-3-4-10-7-12-9/h3-7H,2H2,1H3
InChIKeyKKRJYAPVRMHHIQ-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.22
Rot. Bonds2

About 4-(2-ethylimidazol-1-yl)pyrimidine

4-(2-ethylimidazol-1-yl)pyrimidine (PubChem CID 63812306) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)pyrimidine
PubChem CID63812306
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name4-(2-ethylimidazol-1-yl)pyrimidine
SMILESCCc1nccn1-c1ccncn1
InChIInChI=1S/C9H10N4/c1-2-8-11-5-6-13(8)9-3-4-10-7-12-9/h3-7H,2H2,1H3
InChIKeyKKRJYAPVRMHHIQ-UHFFFAOYSA-N
XLogP1.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)pyrimidine?
The IUPAC name of 4-(2-ethylimidazol-1-yl)pyrimidine (CID 63812306) is 4-(2-ethylimidazol-1-yl)pyrimidine.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)pyrimidine?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)pyrimidine is CCc1nccn1-c1ccncn1.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)pyrimidine?
The InChIKey is KKRJYAPVRMHHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-8-11-5-6-13(8)9-3-4-10-7-12-9/h3-7H,2H2,1H3.
What are the key properties of 4-(2-ethylimidazol-1-yl)pyrimidine?
4-(2-ethylimidazol-1-yl)pyrimidine has a molecular weight of 174.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)pyrimidine is sourced from PubChem (CID 63812306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).