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

C10H10ClFN4 — CID 79080003

IUPAC2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine
SMILESCCCn1ccnc1-c1nc(Cl)ncc1F
InChIInChI=1S/C10H10ClFN4/c1-2-4-16-5-3-13-9(16)8-7(12)6-14-10(11)15-8/h3,5-6H,2,4H2,1H3
InChIKeyNFYWKVOXBKOUIM-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.54
Rot. Bonds3

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

2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine (PubChem CID 79080003) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine
PubChem CID79080003
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine
SMILESCCCn1ccnc1-c1nc(Cl)ncc1F
InChIInChI=1S/C10H10ClFN4/c1-2-4-16-5-3-13-9(16)8-7(12)6-14-10(11)15-8/h3,5-6H,2,4H2,1H3
InChIKeyNFYWKVOXBKOUIM-UHFFFAOYSA-N
XLogP2.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.54
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-propylimidazol-2-yl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine (CID 79080003) is 2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine is CCCn1ccnc1-c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine?
The InChIKey is NFYWKVOXBKOUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c1-2-4-16-5-3-13-9(16)8-7(12)6-14-10(11)15-8/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine?
2-chloro-5-fluoro-4-(1-propylimidazol-2-yl)pyrimidine has a molecular weight of 240.67 g/mol, XLogP of 2.54, 3 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-propylimidazol-2-yl)pyrimidine is sourced from PubChem (CID 79080003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).