2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one

C14H22N4O3 — CID 142992937

IUPAC2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCC(Cn1ccc2c(=O)[nH]c(N)nc21)C(COC)OC
InChIInChI=1S/C14H22N4O3/c1-4-9(11(21-3)8-20-2)7-18-6-5-10-12(18)16-14(15)17-13(10)19/h5-6,9,11H,4,7-8H2,1-3H3,(H3,15,16,17,19)
InChIKeyPDSCYEAUHRHQBY-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.99
Rot. Bonds7

About 2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one

2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 142992937) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID142992937
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCC(Cn1ccc2c(=O)[nH]c(N)nc21)C(COC)OC
InChIInChI=1S/C14H22N4O3/c1-4-9(11(21-3)8-20-2)7-18-6-5-10-12(18)16-14(15)17-13(10)19/h5-6,9,11H,4,7-8H2,1-3H3,(H3,15,16,17,19)
InChIKeyPDSCYEAUHRHQBY-UHFFFAOYSA-N
XLogP0.99
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-7-[(1S,2R,3R)-1-fluoro-2,4-dihydroxy-3-methoxybutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137213650
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium
CID 58122992
2-amino-7-[(2R)-2-hydroxycyclobutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135475516
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid
CID 136617763
[3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane
CID 143010594
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
5-amino-3-[(2R,3R,5S)-3-hydroxy-5-(1-hydroxy-2-methoxyethyl)oxolan-2-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137108711
2-amino-7-[(2S,3R,4R,5S)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135546398
1-[(4R,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yloxy-(3-hydroxypentan-3-yl)phosphinic acid
CID 137196695
2-amino-9-(1-methoxyethyl)-1H-purin-6-one
CID 135996340
2-amino-7-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 144683644

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 142992937) is 2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is CCC(Cn1ccc2c(=O)[nH]c(N)nc21)C(COC)OC.
What is the InChIKey of 2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is PDSCYEAUHRHQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-9(11(21-3)8-20-2)7-18-6-5-10-12(18)16-14(15)17-13(10)19/h5-6,9,11H,4,7-8H2,1-3H3,(H3,15,16,17,19).
What are the key properties of 2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 294.36 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(2-ethyl-3,4-dimethoxybutyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 142992937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).