5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C19H17N3O5 — CID 40900457

IUPAC5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C[C@H]2CCCO2)c2nccc(-c3ccc4c(c3)OCO4)c12
InChIInChI=1S/C19H17N3O5/c23-18-16-13(11-3-4-14-15(8-11)27-10-26-14)5-6-20-17(16)22(19(24)21-18)9-12-2-1-7-25-12/h3-6,8,12H,1-2,7,9-10H2,(H,21,23,24)/t12-/m1/s1
InChIKeyLCNOFXDUBXEGFD-GFCCVEGCSA-N
MW367.36 g/mol
LogP1.66
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 40900457) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID40900457
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C[C@H]2CCCO2)c2nccc(-c3ccc4c(c3)OCO4)c12
InChIInChI=1S/C19H17N3O5/c23-18-16-13(11-3-4-14-15(8-11)27-10-26-14)5-6-20-17(16)22(19(24)21-18)9-12-2-1-7-25-12/h3-6,8,12H,1-2,7,9-10H2,(H,21,23,24)/t12-/m1/s1
InChIKeyLCNOFXDUBXEGFD-GFCCVEGCSA-N
XLogP1.66
TPSA95.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-naphthalen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 66502478
3-(1,3-benzodioxol-5-yl)-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione
CID 27492712
5-(1,3-benzodioxol-5-yl)-7-[(3S)-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155526960
(5S)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
CID 8601366
N-(1,3-benzodioxol-5-yl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 93485966
7-(2-hydroxy-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048803
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7515453
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 47004092
17-(1,3-benzodioxol-5-yl)-13-(oxolan-2-ylmethyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 3461649
17-(1,3-benzodioxol-5-ylmethyl)-14-methyl-13-(oxolan-2-ylmethyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 661838
(4S)-4-(1,3-benzodioxol-5-yl)-6-[[(2S)-oxolan-2-yl]methyl]-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42548320
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 40900457) is 5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C[C@H]2CCCO2)c2nccc(-c3ccc4c(c3)OCO4)c12.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LCNOFXDUBXEGFD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N3O5/c23-18-16-13(11-3-4-14-15(8-11)27-10-26-14)5-6-20-17(16)22(19(24)21-18)9-12-2-1-7-25-12/h3-6,8,12H,1-2,7,9-10H2,(H,21,23,24)/t12-/m1/s1.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 367.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-[[(2R)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 40900457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).