1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C19H24N4O12 — CID 175846762

IUPAC1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(c2c[nH]c(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@]1(O)[C@@]1(n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H24N4O12/c1-17(7-4-20-15(31)22-14(7)30)18(33,12(28)9(6-25)34-17)19(13(29)11(27)8(5-24)35-19)23-3-2-10(26)21-16(23)32/h2-4,8-9,11-13,24-25,27-29,33H,5-6H2,1H3,(H,21,26,32)(H2,20,22,30,31)/t8-,9-,11-,12-,13-,17+,18-,19+/m1/s1
InChIKeyCQJWDUCCAWPKQU-PJTKFHRVSA-N
MW500.42 g/mol
LogP-5.92
Rot. Bonds5

About 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 175846762) has the molecular formula C19H24N4O12 and a molecular weight of 500.42 g/mol. Its IUPAC name is 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID175846762
Molecular FormulaC19H24N4O12
Molecular Weight500.42 g/mol
Exact Mass500.14
IUPAC Name1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(c2c[nH]c(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@]1(O)[C@@]1(n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H24N4O12/c1-17(7-4-20-15(31)22-14(7)30)18(33,12(28)9(6-25)34-17)19(13(29)11(27)8(5-24)35-19)23-3-2-10(26)21-16(23)32/h2-4,8-9,11-13,24-25,27-29,33H,5-6H2,1H3,(H,21,26,32)(H2,20,22,30,31)/t8-,9-,11-,12-,13-,17+,18-,19+/m1/s1
InChIKeyCQJWDUCCAWPKQU-PJTKFHRVSA-N
XLogP-5.92
TPSA260.42 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500500.42
LogP ≤ 5-5.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Analyze 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67732608
CID 163212134
CID 163212134
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-nitrosooxolan-2-yl]pyrimidine-2,4-dione
CID 151862657
1-[(2R,3R,4S,5R)-2-[(E)-2-bromoethenyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 87294407
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 66840745
1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-propanoyloxolan-2-yl]pyrimidine-2,4-dione
CID 90013430
(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile
CID 70674775
2-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carbonitrile
CID 123994788
[(2R,3R,4R,5R)-2-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-3-yl] dihydrogen phosphate
CID 171421223
1-[(1R,3R,4R,5R)-4-hydroxy-3-(hydroxymethyl)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-1-yl]pyrimidine-2,4-dione
CID 122386656
2-[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetic acid
CID 118606673
[(2S,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy hypobromite
CID 87666373

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 175846762) is 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is C[C@@]1(c2c[nH]c(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@]1(O)[C@@]1(n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is CQJWDUCCAWPKQU-PJTKFHRVSA-N. The full InChI is InChI=1S/C19H24N4O12/c1-17(7-4-20-15(31)22-14(7)30)18(33,12(28)9(6-25)34-17)19(13(29)11(27)8(5-24)35-19)23-3-2-10(26)21-16(23)32/h2-4,8-9,11-13,24-25,27-29,33H,5-6H2,1H3,(H,21,26,32)(H2,20,22,30,31)/t8-,9-,11-,12-,13-,17+,18-,19+/m1/s1.
What are the key properties of 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 500.42 g/mol, XLogP of -5.92, 5 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4S,5R)-2-[(2S,3R,4R,5R)-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-methyloxolan-3-yl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 175846762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).