4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine

C9H9ClN4 — CID 105371207

IUPAC4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine
SMILESCCn1ccnc1-c1cncnc1Cl
InChIInChI=1S/C9H9ClN4/c1-2-14-4-3-12-9(14)7-5-11-6-13-8(7)10/h3-6H,2H2,1H3
InChIKeyWUWFYJPMJAUPBS-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.01
Rot. Bonds2

About 4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine

4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine (PubChem CID 105371207) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine
PubChem CID105371207
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine
SMILESCCn1ccnc1-c1cncnc1Cl
InChIInChI=1S/C9H9ClN4/c1-2-14-4-3-12-9(14)7-5-11-6-13-8(7)10/h3-6H,2H2,1H3
InChIKeyWUWFYJPMJAUPBS-UHFFFAOYSA-N
XLogP2.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine (CID 105371207) is 4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine is CCn1ccnc1-c1cncnc1Cl.
What is the InChIKey of 4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine?
The InChIKey is WUWFYJPMJAUPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-2-14-4-3-12-9(14)7-5-11-6-13-8(7)10/h3-6H,2H2,1H3.
What are the key properties of 4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine?
4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine has a molecular weight of 208.65 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine is sourced from PubChem (CID 105371207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).