6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine

C24H25N7O2 — CID 53320466

IUPAC6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(c5ccccc5)CC4)c3n2)cc1OC
InChIInChI=1S/C24H25N7O2/c1-32-19-9-8-16(14-20(19)33-2)18-15-26-22-21(27-18)23(29-24(25)28-22)31-12-10-30(11-13-31)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,28,29)
InChIKeyDENPTXVPDLTOBD-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.01
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine

6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine (PubChem CID 53320466) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine
PubChem CID53320466
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(c5ccccc5)CC4)c3n2)cc1OC
InChIInChI=1S/C24H25N7O2/c1-32-19-9-8-16(14-20(19)33-2)18-15-26-22-21(27-18)23(29-24(25)28-22)31-12-10-30(11-13-31)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,28,29)
InChIKeyDENPTXVPDLTOBD-UHFFFAOYSA-N
XLogP3.01
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine 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-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine (CID 53320466) is 6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(N4CCN(c5ccccc5)CC4)c3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine?
The InChIKey is DENPTXVPDLTOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-32-19-9-8-16(14-20(19)33-2)18-15-26-22-21(27-18)23(29-24(25)28-22)31-12-10-30(11-13-31)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,28,29).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine?
6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine has a molecular weight of 443.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine is sourced from PubChem (CID 53320466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).