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4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C22H28N6O4 — CID 146834761

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESNc1nc(OCC2CCCO2)nc2c1CC(=O)CN2Cc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H28N6O4/c23-20-18-11-16(29)13-28(21(18)26-22(25-20)32-14-17-2-1-7-31-17)12-15-3-4-24-19(10-15)27-5-8-30-9-6-27/h3-4,10,17H,1-2,5-9,11-14H2,(H2,23,25,26)
InChIKeySEWWSQHLJPQYLE-UHFFFAOYSA-N
MW440.50 g/mol
LogP0.98
Rot. Bonds6

About 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 146834761) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
PubChem CID146834761
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Name4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESNc1nc(OCC2CCCO2)nc2c1CC(=O)CN2Cc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H28N6O4/c23-20-18-11-16(29)13-28(21(18)26-22(25-20)32-14-17-2-1-7-31-17)12-15-3-4-24-19(10-15)27-5-8-30-9-6-27/h3-4,10,17H,1-2,5-9,11-14H2,(H2,23,25,26)
InChIKeySEWWSQHLJPQYLE-UHFFFAOYSA-N
XLogP0.98
TPSA115.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 146834761) is 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is Nc1nc(OCC2CCCO2)nc2c1CC(=O)CN2Cc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The InChIKey is SEWWSQHLJPQYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4/c23-20-18-11-16(29)13-28(21(18)26-22(25-20)32-14-17-2-1-7-31-17)12-15-3-4-24-19(10-15)27-5-8-30-9-6-27/h3-4,10,17H,1-2,5-9,11-14H2,(H2,23,25,26).
What are the key properties of 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 440.50 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 146834761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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