6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine

C17H19N7O — CID 11461849

IUPAC6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCNCC4)c3n2)cc1
InChIInChI=1S/C17H19N7O/c1-25-12-4-2-11(3-5-12)13-10-20-15-14(21-13)16(23-17(18)22-15)24-8-6-19-7-9-24/h2-5,10,19H,6-9H2,1H3,(H2,18,20,22,23)
InChIKeyYNHRFGNKLOLFQY-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.09
Rot. Bonds3

About 6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine

6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine (PubChem CID 11461849) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine
PubChem CID11461849
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCNCC4)c3n2)cc1
InChIInChI=1S/C17H19N7O/c1-25-12-4-2-11(3-5-12)13-10-20-15-14(21-13)16(23-17(18)22-15)24-8-6-19-7-9-24/h2-5,10,19H,6-9H2,1H3,(H2,18,20,22,23)
InChIKeyYNHRFGNKLOLFQY-UHFFFAOYSA-N
XLogP1.09
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine?
The IUPAC name of 6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine (CID 11461849) is 6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(N4CCNCC4)c3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine?
The InChIKey is YNHRFGNKLOLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-25-12-4-2-11(3-5-12)13-10-20-15-14(21-13)16(23-17(18)22-15)24-8-6-19-7-9-24/h2-5,10,19H,6-9H2,1H3,(H2,18,20,22,23).
What are the key properties of 6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine?
6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine has a molecular weight of 337.39 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine is sourced from PubChem (CID 11461849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).