6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine

C18H21FN8O — CID 155799077

IUPAC6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
SMILESFc1cncnc1N1CCN(c2ncnc3c2ncn3CC2CCCO2)CC1
InChIInChI=1S/C18H21FN8O/c19-14-8-20-10-21-16(14)25-3-5-26(6-4-25)17-15-18(23-11-22-17)27(12-24-15)9-13-2-1-7-28-13/h8,10-13H,1-7,9H2
InChIKeyGRYHRFLGFOOPCW-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.26
Rot. Bonds4

About 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine

6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine (PubChem CID 155799077) has the molecular formula C18H21FN8O and a molecular weight of 384.42 g/mol. Its IUPAC name is 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine.

Molecular Properties

Compound Name6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
PubChem CID155799077
Molecular FormulaC18H21FN8O
Molecular Weight384.42 g/mol
Exact Mass384.18
IUPAC Name6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
SMILESFc1cncnc1N1CCN(c2ncnc3c2ncn3CC2CCCO2)CC1
InChIInChI=1S/C18H21FN8O/c19-14-8-20-10-21-16(14)25-3-5-26(6-4-25)17-15-18(23-11-22-17)27(12-24-15)9-13-2-1-7-28-13/h8,10-13H,1-7,9H2
InChIKeyGRYHRFLGFOOPCW-UHFFFAOYSA-N
XLogP1.26
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine?
The IUPAC name of 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine (CID 155799077) is 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine.
What is the SMILES notation for 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine?
The canonical SMILES for 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine is Fc1cncnc1N1CCN(c2ncnc3c2ncn3CC2CCCO2)CC1.
What is the InChIKey of 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine?
The InChIKey is GRYHRFLGFOOPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN8O/c19-14-8-20-10-21-16(14)25-3-5-26(6-4-25)17-15-18(23-11-22-17)27(12-24-15)9-13-2-1-7-28-13/h8,10-13H,1-7,9H2.
What are the key properties of 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine?
6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine has a molecular weight of 384.42 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine is sourced from PubChem (CID 155799077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).