2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

C22H29N7O4 — CID 70317793

IUPAC2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3cnc(=O)[nH]c3)nc21
InChIInChI=1S/C22H29N7O4/c1-2-10-32-13-9-29-20-18(4-3-17(27-20)16-14-24-22(31)25-15-16)26-19(21(29)30)23-5-6-28-7-11-33-12-8-28/h3-4,14-15H,2,5-13H2,1H3,(H,23,26)(H,24,25,31)
InChIKeyZDMYYNKHLDQSNB-UHFFFAOYSA-N
MW455.52 g/mol
LogP0.71
Rot. Bonds10

About 2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 70317793) has the molecular formula C22H29N7O4 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID70317793
Molecular FormulaC22H29N7O4
Molecular Weight455.52 g/mol
Exact Mass455.23
IUPAC Name2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3cnc(=O)[nH]c3)nc21
InChIInChI=1S/C22H29N7O4/c1-2-10-32-13-9-29-20-18(4-3-17(27-20)16-14-24-22(31)25-15-16)26-19(21(29)30)23-5-6-28-7-11-33-12-8-28/h3-4,14-15H,2,5-13H2,1H3,(H,23,26)(H,24,25,31)
InChIKeyZDMYYNKHLDQSNB-UHFFFAOYSA-N
XLogP0.71
TPSA127.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 70317793) is 2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3cnc(=O)[nH]c3)nc21.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZDMYYNKHLDQSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O4/c1-2-10-32-13-9-29-20-18(4-3-17(27-20)16-14-24-22(31)25-15-16)26-19(21(29)30)23-5-6-28-7-11-33-12-8-28/h3-4,14-15H,2,5-13H2,1H3,(H,23,26)(H,24,25,31).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 455.52 g/mol, XLogP of 0.71, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 70317793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).