4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine

C24H23Cl2N7O2 — CID 69452297

IUPAC4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCNCC4c4cc(Cl)cc(Cl)c4)c3n2)cc1OC
InChIInChI=1S/C24H23Cl2N7O2/c1-34-19-4-3-13(9-20(19)35-2)17-11-29-22-21(30-17)23(32-24(27)31-22)33-6-5-28-12-18(33)14-7-15(25)10-16(26)8-14/h3-4,7-11,18,28H,5-6,12H2,1-2H3,(H2,27,29,31,32)
InChIKeyGIXQVXRUUYRZPL-UHFFFAOYSA-N
MW512.40 g/mol
LogP4.14
Rot. Bonds5

About 4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine

4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine (PubChem CID 69452297) has the molecular formula C24H23Cl2N7O2 and a molecular weight of 512.40 g/mol. Its IUPAC name is 4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
PubChem CID69452297
Molecular FormulaC24H23Cl2N7O2
Molecular Weight512.40 g/mol
Exact Mass511.13
IUPAC Name4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCNCC4c4cc(Cl)cc(Cl)c4)c3n2)cc1OC
InChIInChI=1S/C24H23Cl2N7O2/c1-34-19-4-3-13(9-20(19)35-2)17-11-29-22-21(30-17)23(32-24(27)31-22)33-6-5-28-12-18(33)14-7-15(25)10-16(26)8-14/h3-4,7-11,18,28H,5-6,12H2,1-2H3,(H2,27,29,31,32)
InChIKeyGIXQVXRUUYRZPL-UHFFFAOYSA-N
XLogP4.14
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The IUPAC name of 4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine (CID 69452297) is 4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine.
What is the SMILES notation for 4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The canonical SMILES for 4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(N4CCNCC4c4cc(Cl)cc(Cl)c4)c3n2)cc1OC.
What is the InChIKey of 4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The InChIKey is GIXQVXRUUYRZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N7O2/c1-34-19-4-3-13(9-20(19)35-2)17-11-29-22-21(30-17)23(32-24(27)31-22)33-6-5-28-12-18(33)14-7-15(25)10-16(26)8-14/h3-4,7-11,18,28H,5-6,12H2,1-2H3,(H2,27,29,31,32).
What are the key properties of 4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine has a molecular weight of 512.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine is sourced from PubChem (CID 69452297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).