2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

C28H28Cl4N4O5 — CID 18448992

IUPAC2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCO[C@]1(C)[C@H](OCc2ccc(Cl)cc2Cl)[C@@H](COCc2ccc(Cl)cc2Cl)O[C@H]1n1c(N)nc2[nH]cc(C)c2c1=O
InChIInChI=1S/C28H28Cl4N4O5/c1-14-10-34-24-22(14)25(37)36(27(33)35-24)26-28(2,38-3)23(40-12-16-5-7-18(30)9-20(16)32)21(41-26)13-39-11-15-4-6-17(29)8-19(15)31/h4-10,21,23,26,34H,11-13H2,1-3H3,(H2,33,35)/t21-,23-,26-,28-/m1/s1
InChIKeyBELPLDCMNJUDFL-CGMQEPJLSA-N
MW642.37 g/mol
LogP6.33
Rot. Bonds9

About 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one

2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 18448992) has the molecular formula C28H28Cl4N4O5 and a molecular weight of 642.37 g/mol. Its IUPAC name is 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID18448992
Molecular FormulaC28H28Cl4N4O5
Molecular Weight642.37 g/mol
Exact Mass640.08
IUPAC Name2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCO[C@]1(C)[C@H](OCc2ccc(Cl)cc2Cl)[C@@H](COCc2ccc(Cl)cc2Cl)O[C@H]1n1c(N)nc2[nH]cc(C)c2c1=O
InChIInChI=1S/C28H28Cl4N4O5/c1-14-10-34-24-22(14)25(37)36(27(33)35-24)26-28(2,38-3)23(40-12-16-5-7-18(30)9-20(16)32)21(41-26)13-39-11-15-4-6-17(29)8-19(15)31/h4-10,21,23,26,34H,11-13H2,1-3H3,(H2,33,35)/t21-,23-,26-,28-/m1/s1
InChIKeyBELPLDCMNJUDFL-CGMQEPJLSA-N
XLogP6.33
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.37
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-hydroxy-3-methyloxolan-2-yl]-6,7,10,11-tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9-pentaen-12-one
CID 131726593
(3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4,6-dichloropyrrolo[3,2-c]pyridin-1-yl)-3-methyloxolan-3-ol
CID 135061798
2-[4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyl-3-phenylmethoxyoxolan-2-yl]acetonitrile
CID 66636103
2-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methyloxolan-3-ol
CID 90882234
(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
CID 130474408
2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine
CID 106864801
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
(2R,3R,4R,5S)-3,4-bis[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methoxyoxolane;(2S,3S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxy-3-methyloxolan-3-ol;(2S,3R,4S,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-ol;(2S,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-2-methoxyoxolan-3-one;(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol;(2S,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 157096899
3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
CID 102668905
tert-butyl-[(2,4-dichlorophenyl)methoxy]-dimethylsilane
CID 91737025
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
CID 91716374

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one (CID 18448992) is 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one is CO[C@]1(C)[C@H](OCc2ccc(Cl)cc2Cl)[C@@H](COCc2ccc(Cl)cc2Cl)O[C@H]1n1c(N)nc2[nH]cc(C)c2c1=O.
What is the InChIKey of 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is BELPLDCMNJUDFL-CGMQEPJLSA-N. The full InChI is InChI=1S/C28H28Cl4N4O5/c1-14-10-34-24-22(14)25(37)36(27(33)35-24)26-28(2,38-3)23(40-12-16-5-7-18(30)9-20(16)32)21(41-26)13-39-11-15-4-6-17(29)8-19(15)31/h4-10,21,23,26,34H,11-13H2,1-3H3,(H2,33,35)/t21-,23-,26-,28-/m1/s1.
What are the key properties of 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 642.37 g/mol, XLogP of 6.33, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2R,3R,4R,5R)-4-[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]-3-methoxy-3-methyloxolan-2-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18448992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).