4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one

C13H16N4O5 — CID 10494993

IUPAC4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one
SMILESC[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)c3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H16N4O5/c1-5(18)10-8(20)9(21)13(22-10)17-3-2-6(19)7-11(14)15-4-16-12(7)17/h2-5,8-10,13,18,20-21H,1H3,(H2,14,15,16)/t5-,8+,9-,10-,13-/m1/s1
InChIKeyMRSNQSBRIDAVKH-GWZDLIOLSA-N
MW308.29 g/mol
LogP-1.63
Rot. Bonds2

About 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one

4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one (PubChem CID 10494993) has the molecular formula C13H16N4O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one
PubChem CID10494993
Molecular FormulaC13H16N4O5
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one
SMILESC[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)c3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H16N4O5/c1-5(18)10-8(20)9(21)13(22-10)17-3-2-6(19)7-11(14)15-4-16-12(7)17/h2-5,8-10,13,18,20-21H,1H3,(H2,14,15,16)/t5-,8+,9-,10-,13-/m1/s1
InChIKeyMRSNQSBRIDAVKH-GWZDLIOLSA-N
XLogP-1.63
TPSA143.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(1S)-1-hydroxyethyl]oxolane-3,4-diol
CID 15612716
4-amino-8-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one
CID 10732221
(3R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(S)-hydroxy(phenyl)methyl]oxolane-3,4-diol
CID 166161383
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[1-(4-chlorophenyl)ethyl]oxolane-3,4-diol;hydrochloride
CID 155169693
4-amino-7-[(2R,3R,4R,5R)-5-(2-amino-1-hydroxyethyl)-3,4-dihydroxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 10472290
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 59504113
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol
CID 122669398
(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol
CID 164584842
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-naphthyridin-4-one
CID 23541591
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[hydroxy(methylselanyl)methyl]oxolane-3,4-diol
CID 90424594
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(1-hydroxyethyl)-4-sulfanyloxolan-3-ol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 159700299
2-[cyclopropyl(hydroxy)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 139538535

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one (CID 10494993) is 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one is C[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)c3c(N)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is MRSNQSBRIDAVKH-GWZDLIOLSA-N. The full InChI is InChI=1S/C13H16N4O5/c1-5(18)10-8(20)9(21)13(22-10)17-3-2-6(19)7-11(14)15-4-16-12(7)17/h2-5,8-10,13,18,20-21H,1H3,(H2,14,15,16)/t5-,8+,9-,10-,13-/m1/s1.
What are the key properties of 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one?
4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 308.29 g/mol, XLogP of -1.63, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 10494993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).