2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one

C24H34N10O10 — CID 158643483

IUPAC2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
SMILESCOC1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(CN)nc21.NCc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c2nc(N)[nH]c(=O)c12
InChIInChI=1S/2C12H17N5O5/c1-21-9-8(19)5(3-18)22-12(9)17-4-14-7-10(17)15-6(2-13)16-11(7)20;13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h4-5,8-9,12,18-19H,2-3,13H2,1H3,(H,15,16,20);2,5,7-8,11,18-20H,1,3,13H2,(H3,14,15,16,21)/t5-,8+,9?,12-;5-,7+,8?,11-/m11/s1
InChIKeyIARFBOHEMSXRQU-VCZUOQTESA-N
MW622.60 g/mol
LogP-4.78
Rot. Bonds7

About 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one

2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one (PubChem CID 158643483) has the molecular formula C24H34N10O10 and a molecular weight of 622.60 g/mol. Its IUPAC name is 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
PubChem CID158643483
Molecular FormulaC24H34N10O10
Molecular Weight622.60 g/mol
Exact Mass622.25
IUPAC Name2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
SMILESCOC1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(CN)nc21.NCc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c2nc(N)[nH]c(=O)c12
InChIInChI=1S/2C12H17N5O5/c1-21-9-8(19)5(3-18)22-12(9)17-4-14-7-10(17)15-6(2-13)16-11(7)20;13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h4-5,8-9,12,18-19H,2-3,13H2,1H3,(H,15,16,20);2,5,7-8,11,18-20H,1,3,13H2,(H3,14,15,16,21)/t5-,8+,9?,12-;5-,7+,8?,11-/m11/s1
InChIKeyIARFBOHEMSXRQU-VCZUOQTESA-N
XLogP-4.78
TPSA321.15 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500622.60
LogP ≤ 5-4.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one 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

2-amino-9-[(2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-1H-purin-6-one
CID 136733780
2-amino-9-[(2R,3R,4R)-3-hydroxy-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135797824
2-amino-9-[(2R,3R,4R,5R)-3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137139921
2-amino-9-[5-(hydroxymethyl)-3-methoxy-4-phosphanyloxyoxolan-2-yl]-1H-purin-6-one
CID 153284814
bis(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one);carbon monoxide;ruthenium(2+);dichloride
CID 135466942
[(3R,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 135625234
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(hydroxymethyl)-1H-purin-6-one
CID 135599155
2-amino-9-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135616173
2-amino-9-[(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135625251
CID 170845327
CID 170845327
2-amino-9-[(2S,3S,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 135418169
2-amino-9-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 137067944

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one (CID 158643483) is 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one is COC1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(CN)nc21.NCc1cn([C@@H]2O[C@H](CO)[C@H](O)C2O)c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one?
The InChIKey is IARFBOHEMSXRQU-VCZUOQTESA-N. The full InChI is InChI=1S/2C12H17N5O5/c1-21-9-8(19)5(3-18)22-12(9)17-4-14-7-10(17)15-6(2-13)16-11(7)20;13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h4-5,8-9,12,18-19H,2-3,13H2,1H3,(H,15,16,20);2,5,7-8,11,18-20H,1,3,13H2,(H3,14,15,16,21)/t5-,8+,9?,12-;5-,7+,8?,11-/m11/s1.
What are the key properties of 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one?
2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one has a molecular weight of 622.60 g/mol, XLogP of -4.78, 7 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 158643483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).