4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide

C25H25N5O5 — CID 134823789

IUPAC4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](O)[C@H]2O)c2nc(-c3ccccc3)nc(N)c12
InChIInChI=1S/C25H25N5O5/c26-21-18-16(22(27)33)11-30(24(18)29-23(28-21)15-9-5-2-6-10-15)25-20(32)19(31)17(35-25)13-34-12-14-7-3-1-4-8-14/h1-11,17,19-20,25,31-32H,12-13H2,(H2,27,33)(H2,26,28,29)/t17-,19-,20-,25-/m1/s1
InChIKeyAEDFSQAEUPRCOU-DRCLYLBJSA-N
MW475.51 g/mol
LogP1.62
Rot. Bonds7

About 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 134823789) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID134823789
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC Name4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](O)[C@H]2O)c2nc(-c3ccccc3)nc(N)c12
InChIInChI=1S/C25H25N5O5/c26-21-18-16(22(27)33)11-30(24(18)29-23(28-21)15-9-5-2-6-10-15)25-20(32)19(31)17(35-25)13-34-12-14-7-3-1-4-8-14/h1-11,17,19-20,25,31-32H,12-13H2,(H2,27,33)(H2,26,28,29)/t17-,19-,20-,25-/m1/s1
InChIKeyAEDFSQAEUPRCOU-DRCLYLBJSA-N
XLogP1.62
TPSA158.74 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-amino-7-[(2R,3R,4S,5R)-5-(diethoxyphosphorylmethoxymethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 126562816
[5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-deuterio-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-phenylpropanoate
CID 126578495
[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid
CID 126578512
[(2R,5R)-5-(6-amino-2-phenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 57219751
4-amino-5-bromo-1-[3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 175943263
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(4-phenylphenyl)methoxymethyl]oxolan-2-yl]-1H-purin-6-one
CID 137123677
[(2R,3S,4R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoate
CID 126564466
4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 126578511
[(2R,3S,4R,5R)-5-(6-amino-2-phenylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-hydroxybenzoyl)sulfamate
CID 25053418
[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 126561949
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(2-oxo-5-phenylpyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 10787600
3-(phenylmethoxymethyl)oxirane-2-carboxamide
CID 10130485

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 134823789) is 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide is NC(=O)c1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](O)[C@H]2O)c2nc(-c3ccccc3)nc(N)c12.
What is the InChIKey of 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is AEDFSQAEUPRCOU-DRCLYLBJSA-N. The full InChI is InChI=1S/C25H25N5O5/c26-21-18-16(22(27)33)11-30(24(18)29-23(28-21)15-9-5-2-6-10-15)25-20(32)19(31)17(35-25)13-34-12-14-7-3-1-4-8-14/h1-11,17,19-20,25,31-32H,12-13H2,(H2,27,33)(H2,26,28,29)/t17-,19-,20-,25-/m1/s1.
What are the key properties of 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 1.62, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-phenylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 134823789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).