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

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

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

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Launch Full Analysis

Related Compounds

4-Amino-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one
CID 46240632
4-Amino-2-cyclopentyloxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one
CID 59359801
1-[[6-Amino-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-[(6-methyl-3-pyridinyl)methyl]amino]propan-2-one
CID 89990532
2-[[6-Amino-5-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-[(2-morpholin-4-yl-4-pyridinyl)methyl]amino]acetaldehyde
CID 89990537
4-[2-[(3R)-oxolan-3-yl]oxypyrido[2,3-d]pyrimidin-4-yl]morpholine
CID 141312482
4-(Methylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropteridin-6-one
CID 144022087
2-[(3S)-3-methoxypyrrolidin-1-yl]-1-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethanone
CID 144164549
4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
CID 157345001
4-Amino-2-butoxy-7-methyl-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-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
CID 157658270
4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 160740313
4-Amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 160740314
1-[3-[[(6-Morpholin-4-ylpyrimidin-4-yl)amino]methyl]pyridin-2-yl]piperidine-4-carboxamide
CID 136536514

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).