2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one

C23H31N7O4 — CID 45270704

IUPAC2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(OC)nc3)nc21
InChIInChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-22-18(16-26-20(28-22)17-4-5-19(32-2)25-15-17)27-21(23(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,27)
InChIKeyWWANSXDWVBPFTR-UHFFFAOYSA-N
MW469.55 g/mol
LogP1.43
Rot. Bonds11

About 2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one

2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one (PubChem CID 45270704) has the molecular formula C23H31N7O4 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one
PubChem CID45270704
Molecular FormulaC23H31N7O4
Molecular Weight469.55 g/mol
Exact Mass469.24
IUPAC Name2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(OC)nc3)nc21
InChIInChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-22-18(16-26-20(28-22)17-4-5-19(32-2)25-15-17)27-21(23(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,27)
InChIKeyWWANSXDWVBPFTR-UHFFFAOYSA-N
XLogP1.43
TPSA116.52 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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 2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one (CID 45270704) is 2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one is CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(OC)nc3)nc21.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one?
The InChIKey is WWANSXDWVBPFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-22-18(16-26-20(28-22)17-4-5-19(32-2)25-15-17)27-21(23(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,27).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one?
2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one has a molecular weight of 469.55 g/mol, XLogP of 1.43, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-6-(2-morpholin-4-ylethylamino)-8-(2-propoxyethyl)pteridin-7-one is sourced from PubChem (CID 45270704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).