4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine

C10H11ClN4 — CID 63730231

IUPAC4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine
SMILESCCc1nccn1-c1ncnc(Cl)c1C
InChIInChI=1S/C10H11ClN4/c1-3-8-12-4-5-15(8)10-7(2)9(11)13-6-14-10/h4-6H,3H2,1-2H3
InChIKeyOIRROMVDMCMPAP-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.19
Rot. Bonds2

About 4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine

4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine (PubChem CID 63730231) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine
PubChem CID63730231
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine
SMILESCCc1nccn1-c1ncnc(Cl)c1C
InChIInChI=1S/C10H11ClN4/c1-3-8-12-4-5-15(8)10-7(2)9(11)13-6-14-10/h4-6H,3H2,1-2H3
InChIKeyOIRROMVDMCMPAP-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63812315
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556
1-chloro-4-(2-ethylimidazol-1-yl)phthalazine
CID 55041373
6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine
CID 115474382
5-methyl-N-propyl-6-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 80868402
4-(2-ethylimidazol-1-yl)-6-fluoroquinazoline
CID 110435807
4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyrimidine
CID 83219939
5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine
CID 80857792
[5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol
CID 61404987
6-(2-ethylimidazol-1-yl)-5-methylpyridin-3-amine
CID 62476570
6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
CID 80857532
4-(2-ethylimidazol-1-yl)-2,6-dimethylpyrimidine
CID 55238460

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine (CID 63730231) is 4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine is CCc1nccn1-c1ncnc(Cl)c1C.
What is the InChIKey of 4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine?
The InChIKey is OIRROMVDMCMPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-3-8-12-4-5-15(8)10-7(2)9(11)13-6-14-10/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine?
4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine has a molecular weight of 222.68 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 63730231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).