N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine

C19H23N7O — CID 39336298

IUPACN-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
SMILESCOCCNc1nc(N2CCN(c3ccccc3)CC2)nc2nccnc12
InChIInChI=1S/C19H23N7O/c1-27-14-9-22-18-16-17(21-8-7-20-16)23-19(24-18)26-12-10-25(11-13-26)15-5-3-2-4-6-15/h2-8H,9-14H2,1H3,(H,21,22,23,24)
InChIKeyMYXCOBRWHJCBIH-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.80
Rot. Bonds6

About N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine

N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine (PubChem CID 39336298) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
PubChem CID39336298
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
SMILESCOCCNc1nc(N2CCN(c3ccccc3)CC2)nc2nccnc12
InChIInChI=1S/C19H23N7O/c1-27-14-9-22-18-16-17(21-8-7-20-16)23-19(24-18)26-12-10-25(11-13-26)15-5-3-2-4-6-15/h2-8H,9-14H2,1H3,(H,21,22,23,24)
InChIKeyMYXCOBRWHJCBIH-UHFFFAOYSA-N
XLogP1.80
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine (CID 39336298) is N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine is COCCNc1nc(N2CCN(c3ccccc3)CC2)nc2nccnc12.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine?
The InChIKey is MYXCOBRWHJCBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-27-14-9-22-18-16-17(21-8-7-20-16)23-19(24-18)26-12-10-25(11-13-26)15-5-3-2-4-6-15/h2-8H,9-14H2,1H3,(H,21,22,23,24).
What are the key properties of N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine?
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine has a molecular weight of 365.44 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine is sourced from PubChem (CID 39336298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).