6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one

C19H20F2N6O2 — CID 3233107

IUPAC6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C19H20F2N6O2/c1-29-7-6-27-17-15(11-23-19(25-17)26-4-2-22-3-5-26)24-16(18(27)28)12-8-13(20)10-14(21)9-12/h8-11,22H,2-7H2,1H3
InChIKeyQLHOQDDCLUVZKA-UHFFFAOYSA-N
MW402.41 g/mol
LogP1.19
Rot. Bonds5

About 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one

6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one (PubChem CID 3233107) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one
PubChem CID3233107
Molecular FormulaC19H20F2N6O2
Molecular Weight402.41 g/mol
Exact Mass402.16
IUPAC Name6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C19H20F2N6O2/c1-29-7-6-27-17-15(11-23-19(25-17)26-4-2-22-3-5-26)24-16(18(27)28)12-8-13(20)10-14(21)9-12/h8-11,22H,2-7H2,1H3
InChIKeyQLHOQDDCLUVZKA-UHFFFAOYSA-N
XLogP1.19
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one 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-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one (CID 3233107) is 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one is COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc21.
What is the InChIKey of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one?
The InChIKey is QLHOQDDCLUVZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-29-7-6-27-17-15(11-23-19(25-17)26-4-2-22-3-5-26)24-16(18(27)28)12-8-13(20)10-14(21)9-12/h8-11,22H,2-7H2,1H3.
What are the key properties of 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one?
6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one has a molecular weight of 402.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-8-(2-methoxyethyl)-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3233107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).