6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one

C14H19N4O3+ — CID 78578136

IUPAC6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one
SMILESCOCCn1ccc2nc(N3CCOCC3)[nH+]cc2c1=O
InChIInChI=1S/C14H18N4O3/c1-20-7-4-17-3-2-12-11(13(17)19)10-15-14(16-12)18-5-8-21-9-6-18/h2-3,10H,4-9H2,1H3/p+1
InChIKeyPXFCPOHXCKZOHW-UHFFFAOYSA-O
MW291.33 g/mol
LogP-0.31
Rot. Bonds4

About 6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one

6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one (PubChem CID 78578136) has the molecular formula C14H19N4O3+ and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one.

Molecular Properties

Compound Name6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one
PubChem CID78578136
Molecular FormulaC14H19N4O3+
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one
SMILESCOCCn1ccc2nc(N3CCOCC3)[nH+]cc2c1=O
InChIInChI=1S/C14H18N4O3/c1-20-7-4-17-3-2-12-11(13(17)19)10-15-14(16-12)18-5-8-21-9-6-18/h2-3,10H,4-9H2,1H3/p+1
InChIKeyPXFCPOHXCKZOHW-UHFFFAOYSA-O
XLogP-0.31
TPSA70.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one?
The IUPAC name of 6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one (CID 78578136) is 6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one.
What is the SMILES notation for 6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one?
The canonical SMILES for 6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one is COCCn1ccc2nc(N3CCOCC3)[nH+]cc2c1=O.
What is the InChIKey of 6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one?
The InChIKey is PXFCPOHXCKZOHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N4O3/c1-20-7-4-17-3-2-12-11(13(17)19)10-15-14(16-12)18-5-8-21-9-6-18/h2-3,10H,4-9H2,1H3/p+1.
What are the key properties of 6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one?
6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one has a molecular weight of 291.33 g/mol, XLogP of -0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one is sourced from PubChem (CID 78578136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).