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

C25H27N7O2 — CID 53319141

IUPAC4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5ccccc5)CC4)c3n2)cc1OC
InChIInChI=1S/C25H27N7O2/c1-33-20-9-8-18(14-21(20)34-2)19-15-27-23-22(28-19)24(30-25(26)29-23)32-12-10-31(11-13-32)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3,(H2,26,27,29,30)
InChIKeyYPMGNYMJHLYDHI-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.01
Rot. Bonds6

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

4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine (PubChem CID 53319141) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine
PubChem CID53319141
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5ccccc5)CC4)c3n2)cc1OC
InChIInChI=1S/C25H27N7O2/c1-33-20-9-8-18(14-21(20)34-2)19-15-27-23-22(28-19)24(30-25(26)29-23)32-12-10-31(11-13-32)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3,(H2,26,27,29,30)
InChIKeyYPMGNYMJHLYDHI-UHFFFAOYSA-N
XLogP3.01
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine (CID 53319141) is 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5ccccc5)CC4)c3n2)cc1OC.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
The InChIKey is YPMGNYMJHLYDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-33-20-9-8-18(14-21(20)34-2)19-15-27-23-22(28-19)24(30-25(26)29-23)32-12-10-31(11-13-32)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3,(H2,26,27,29,30).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine?
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine has a molecular weight of 457.54 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine is sourced from PubChem (CID 53319141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).