methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate

C11H15N5O3 — CID 5271703

IUPACmethyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate
SMILES[H]/N=C(\OC)c1cn(COCCO)c2ncnc(N)c12
InChIInChI=1S/C11H15N5O3/c1-18-10(13)7-4-16(6-19-3-2-17)11-8(7)9(12)14-5-15-11/h4-5,13,17H,2-3,6H2,1H3,(H2,12,14,15)/b13-10-
InChIKeyVPPPKWLKHBZHCL-RAXLEYEMSA-N
MW265.27 g/mol
LogP-0.05
Rot. Bonds5

About methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate

methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate (PubChem CID 5271703) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate.

Molecular Properties

Compound Namemethyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate
PubChem CID5271703
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Namemethyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate
SMILES[H]/N=C(\OC)c1cn(COCCO)c2ncnc(N)c12
InChIInChI=1S/C11H15N5O3/c1-18-10(13)7-4-16(6-19-3-2-17)11-8(7)9(12)14-5-15-11/h4-5,13,17H,2-3,6H2,1H3,(H2,12,14,15)/b13-10-
InChIKeyVPPPKWLKHBZHCL-RAXLEYEMSA-N
XLogP-0.05
TPSA119.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Amino-5-bromo-7-(2-hydroxyethoxymethyl)pyrrolo(2,3-d)pyrimidine
CID 122682
4-Amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 3001754
2-[(4-Amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
CID 3007966
Ethanol, 2-[(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]-
CID 456429
Compound 229
CID 3005972
2-[(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
CID 334340
2-[[4-(Dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethanol
CID 334347
7-Deaza-2',3'-didehydrodideoxyadenosine
CID 451960
7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-((2-hydroxyethoxy)methyl)-
CID 452486
4-Amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 469896
7-(2-Methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 10587826
2-[(4-Amino-5-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol
CID 3007967

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate?
The IUPAC name of methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate (CID 5271703) is methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate.
What is the SMILES notation for methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate?
The canonical SMILES for methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate is [H]/N=C(\OC)c1cn(COCCO)c2ncnc(N)c12.
What is the InChIKey of methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate?
The InChIKey is VPPPKWLKHBZHCL-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-18-10(13)7-4-16(6-19-3-2-17)11-8(7)9(12)14-5-15-11/h4-5,13,17H,2-3,6H2,1H3,(H2,12,14,15)/b13-10-.
What are the key properties of methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate?
methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate has a molecular weight of 265.27 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidate is sourced from PubChem (CID 5271703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).