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

C24H23Cl2N7O2 — CID 53317835

IUPAC4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(c5cc(Cl)cc(Cl)c5)CC4)c3n2)cc1OC
InChIInChI=1S/C24H23Cl2N7O2/c1-34-19-4-3-14(9-20(19)35-2)18-13-28-22-21(29-18)23(31-24(27)30-22)33-7-5-32(6-8-33)17-11-15(25)10-16(26)12-17/h3-4,9-13H,5-8H2,1-2H3,(H2,27,28,30,31)
InChIKeyUVCZWTPJHPYOSD-UHFFFAOYSA-N
MW512.40 g/mol
LogP4.32
Rot. Bonds5

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

4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine (PubChem CID 53317835) has the molecular formula C24H23Cl2N7O2 and a molecular weight of 512.40 g/mol. Its IUPAC name is 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
PubChem CID53317835
Molecular FormulaC24H23Cl2N7O2
Molecular Weight512.40 g/mol
Exact Mass511.13
IUPAC Name4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(c5cc(Cl)cc(Cl)c5)CC4)c3n2)cc1OC
InChIInChI=1S/C24H23Cl2N7O2/c1-34-19-4-3-14(9-20(19)35-2)18-13-28-22-21(29-18)23(31-24(27)30-22)33-7-5-32(6-8-33)17-11-15(25)10-16(26)12-17/h3-4,9-13H,5-8H2,1-2H3,(H2,27,28,30,31)
InChIKeyUVCZWTPJHPYOSD-UHFFFAOYSA-N
XLogP4.32
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The IUPAC name of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine (CID 53317835) is 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine.
What is the SMILES notation for 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The canonical SMILES for 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(N4CCN(c5cc(Cl)cc(Cl)c5)CC4)c3n2)cc1OC.
What is the InChIKey of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The InChIKey is UVCZWTPJHPYOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N7O2/c1-34-19-4-3-14(9-20(19)35-2)18-13-28-22-21(29-18)23(31-24(27)30-22)33-7-5-32(6-8-33)17-11-15(25)10-16(26)12-17/h3-4,9-13H,5-8H2,1-2H3,(H2,27,28,30,31).
What are the key properties of 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine has a molecular weight of 512.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine is sourced from PubChem (CID 53317835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).