6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C16H23N5O4 — CID 135719826

IUPAC6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(N1CCOCC1)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1
InChIInChI=1S/C16H23N5O4/c22-14-12-11-21(16(23)20-5-9-25-10-6-20)2-1-13(12)17-15(18-14)19-3-7-24-8-4-19/h1-11H2,(H,17,18,22)
InChIKeyKNZLGSSIHIFXKE-UHFFFAOYSA-N
MW349.39 g/mol
LogP-0.58
Rot. Bonds1

About 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135719826) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135719826
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(N1CCOCC1)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1
InChIInChI=1S/C16H23N5O4/c22-14-12-11-21(16(23)20-5-9-25-10-6-20)2-1-13(12)17-15(18-14)19-3-7-24-8-4-19/h1-11H2,(H,17,18,22)
InChIKeyKNZLGSSIHIFXKE-UHFFFAOYSA-N
XLogP-0.58
TPSA91.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135719826) is 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(N1CCOCC1)N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KNZLGSSIHIFXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c22-14-12-11-21(16(23)20-5-9-25-10-6-20)2-1-13(12)17-15(18-14)19-3-7-24-8-4-19/h1-11H2,(H,17,18,22).
What are the key properties of 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 349.39 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholine-4-carbonyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135719826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).