5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine

C10H10BrClN4 — CID 66312839

IUPAC5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCCc1nc(-c2cncn2C)nc(Cl)c1Br
InChIInChI=1S/C10H10BrClN4/c1-3-6-8(11)9(12)15-10(14-6)7-4-13-5-16(7)2/h4-5H,3H2,1-2H3
InChIKeyWNXDNVZYHAYICD-UHFFFAOYSA-N
MW301.58 g/mol
LogP2.86
Rot. Bonds2

About 5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine

5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine (PubChem CID 66312839) has the molecular formula C10H10BrClN4 and a molecular weight of 301.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine
PubChem CID66312839
Molecular FormulaC10H10BrClN4
Molecular Weight301.58 g/mol
Exact Mass299.98
IUPAC Name5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCCc1nc(-c2cncn2C)nc(Cl)c1Br
InChIInChI=1S/C10H10BrClN4/c1-3-6-8(11)9(12)15-10(14-6)7-4-13-5-16(7)2/h4-5H,3H2,1-2H3
InChIKeyWNXDNVZYHAYICD-UHFFFAOYSA-N
XLogP2.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.58
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine (CID 66312839) is 5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine is CCc1nc(-c2cncn2C)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine?
The InChIKey is WNXDNVZYHAYICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4/c1-3-6-8(11)9(12)15-10(14-6)7-4-13-5-16(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine?
5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine has a molecular weight of 301.58 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethyl-2-(3-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66312839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).