5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine

C18H18FN5 — CID 92567481

IUPAC5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCn1ccnc1-c1nc(N2CCCC2)ncc1-c1cccc(F)c1
InChIInChI=1S/C18H18FN5/c1-23-10-7-20-17(23)16-15(13-5-4-6-14(19)11-13)12-21-18(22-16)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyRAMXLPNLWVTXFC-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.28
Rot. Bonds3

About 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine

5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 92567481) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine
PubChem CID92567481
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine
SMILESCn1ccnc1-c1nc(N2CCCC2)ncc1-c1cccc(F)c1
InChIInChI=1S/C18H18FN5/c1-23-10-7-20-17(23)16-15(13-5-4-6-14(19)11-13)12-21-18(22-16)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyRAMXLPNLWVTXFC-UHFFFAOYSA-N
XLogP3.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine (CID 92567481) is 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine is Cn1ccnc1-c1nc(N2CCCC2)ncc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is RAMXLPNLWVTXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c1-23-10-7-20-17(23)16-15(13-5-4-6-14(19)11-13)12-21-18(22-16)24-8-2-3-9-24/h4-7,10-12H,2-3,8-9H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine?
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 323.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 92567481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).