2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine

C19H23N7O — CID 16820881

IUPAC2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine
SMILESCCN1CCN(c2nc(Nc3ccc(OC)cc3)c3nccnc3n2)CC1
InChIInChI=1S/C19H23N7O/c1-3-25-10-12-26(13-11-25)19-23-17-16(20-8-9-21-17)18(24-19)22-14-4-6-15(27-2)7-5-14/h4-9H,3,10-13H2,1-2H3,(H,21,22,23,24)
InChIKeyBLSBEZVIWFPIQD-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine

2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine (PubChem CID 16820881) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine
PubChem CID16820881
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine
SMILESCCN1CCN(c2nc(Nc3ccc(OC)cc3)c3nccnc3n2)CC1
InChIInChI=1S/C19H23N7O/c1-3-25-10-12-26(13-11-25)19-23-17-16(20-8-9-21-17)18(24-19)22-14-4-6-15(27-2)7-5-14/h4-9H,3,10-13H2,1-2H3,(H,21,22,23,24)
InChIKeyBLSBEZVIWFPIQD-UHFFFAOYSA-N
XLogP2.31
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine (CID 16820881) is 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine is CCN1CCN(c2nc(Nc3ccc(OC)cc3)c3nccnc3n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine?
The InChIKey is BLSBEZVIWFPIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-3-25-10-12-26(13-11-25)19-23-17-16(20-8-9-21-17)18(24-19)22-14-4-6-15(27-2)7-5-14/h4-9H,3,10-13H2,1-2H3,(H,21,22,23,24).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine?
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine has a molecular weight of 365.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine is sourced from PubChem (CID 16820881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).