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

C10H11ClN4 — CID 79079771

IUPAC2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine
SMILESCCn1ccnc1-c1nc(Cl)ncc1C
InChIInChI=1S/C10H11ClN4/c1-3-15-5-4-12-9(15)8-7(2)6-13-10(11)14-8/h4-6H,3H2,1-2H3
InChIKeyBLZVEBDKVZDNTG-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.32
Rot. Bonds2

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

2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine (PubChem CID 79079771) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine
PubChem CID79079771
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine
SMILESCCn1ccnc1-c1nc(Cl)ncc1C
InChIInChI=1S/C10H11ClN4/c1-3-15-5-4-12-9(15)8-7(2)6-13-10(11)14-8/h4-6H,3H2,1-2H3
InChIKeyBLZVEBDKVZDNTG-UHFFFAOYSA-N
XLogP2.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine (CID 79079771) is 2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine is CCn1ccnc1-c1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine?
The InChIKey is BLZVEBDKVZDNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-3-15-5-4-12-9(15)8-7(2)6-13-10(11)14-8/h4-6H,3H2,1-2H3.
What are the key properties of 2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine?
2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine has a molecular weight of 222.68 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine is sourced from PubChem (CID 79079771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).