2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine

C8H6ClFN4 — CID 79079148

IUPAC2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine
SMILESCn1ccnc1-c1nc(Cl)ncc1F
InChIInChI=1S/C8H6ClFN4/c1-14-3-2-11-7(14)6-5(10)4-12-8(9)13-6/h2-4H,1H3
InChIKeyILUWIQYUNKDMEU-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.67
Rot. Bonds1

About 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine

2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine (PubChem CID 79079148) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine
PubChem CID79079148
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine
SMILESCn1ccnc1-c1nc(Cl)ncc1F
InChIInChI=1S/C8H6ClFN4/c1-14-3-2-11-7(14)6-5(10)4-12-8(9)13-6/h2-4H,1H3
InChIKeyILUWIQYUNKDMEU-UHFFFAOYSA-N
XLogP1.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine (CID 79079148) is 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine is Cn1ccnc1-c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine?
The InChIKey is ILUWIQYUNKDMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c1-14-3-2-11-7(14)6-5(10)4-12-8(9)13-6/h2-4H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine?
2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine has a molecular weight of 212.62 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)pyrimidine is sourced from PubChem (CID 79079148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).