7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C14H19N5O6 — CID 46877143

IUPAC7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCONc1ncnc2c1c(C(N)=O)cn2C1O[C@H](CO)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C14H19N5O6/c1-14(23)9(21)7(4-20)25-13(14)19-3-6(10(15)22)8-11(18-24-2)16-5-17-12(8)19/h3,5,7,9,13,20-21,23H,4H2,1-2H3,(H2,15,22)(H,16,17,18)/t7-,9-,13?,14-/m1/s1
InChIKeyAFORSFALOGVZCS-NUTGARJGSA-N
MW353.34 g/mol
LogP-1.49
Rot. Bonds5

About 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide

7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 46877143) has the molecular formula C14H19N5O6 and a molecular weight of 353.34 g/mol. Its IUPAC name is 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID46877143
Molecular FormulaC14H19N5O6
Molecular Weight353.34 g/mol
Exact Mass353.13
IUPAC Name7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCONc1ncnc2c1c(C(N)=O)cn2C1O[C@H](CO)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C14H19N5O6/c1-14(23)9(21)7(4-20)25-13(14)19-3-6(10(15)22)8-11(18-24-2)16-5-17-12(8)19/h3,5,7,9,13,20-21,23H,4H2,1-2H3,(H2,15,22)(H,16,17,18)/t7-,9-,13?,14-/m1/s1
InChIKeyAFORSFALOGVZCS-NUTGARJGSA-N
XLogP-1.49
TPSA164.98 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 10043628
7-[(3R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 58681673
7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 46877255
1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 72562978
7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 46877241
7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(hydroxyamino)pyrrolo[2,3-d]pyrimidine-5-carboximidamide
CID 10286689
4-amino-7-[(3R,4R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 58645414
ethyl 4-amino-7-[(4R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71178597
4-amino-7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N'-hydroxypyrrolo[2,3-d]pyrimidine-5-carboximidamide
CID 159093789
ethyl 3-[4-amino-7-[(4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]-3-oxopropanoate
CID 91189542
7-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(hydroxyamino)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 21040852
N-[7-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(2-methylpropanoylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropanamide
CID 68560209

Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 46877143) is 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide is CONc1ncnc2c1c(C(N)=O)cn2C1O[C@H](CO)[C@@H](O)[C@@]1(C)O.
What is the InChIKey of 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is AFORSFALOGVZCS-NUTGARJGSA-N. The full InChI is InChI=1S/C14H19N5O6/c1-14(23)9(21)7(4-20)25-13(14)19-3-6(10(15)22)8-11(18-24-2)16-5-17-12(8)19/h3,5,7,9,13,20-21,23H,4H2,1-2H3,(H2,15,22)(H,16,17,18)/t7-,9-,13?,14-/m1/s1.
What are the key properties of 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 353.34 g/mol, XLogP of -1.49, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 46877143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).