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

C15H21N5O5 — CID 46877241

IUPAC7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cn(C2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2ncnc(NC)c12
InChIInChI=1S/C15H21N5O5/c1-15(24)10(22)8(5-21)25-14(15)20-4-7(13(23)17-3)9-11(16-2)18-6-19-12(9)20/h4,6,8,10,14,21-22,24H,5H2,1-3H3,(H,17,23)(H,16,18,19)/t8-,10-,14?,15-/m1/s1
InChIKeyZGLFUXPZSWFJIJ-LKOJNXRCSA-N
MW351.36 g/mol
LogP-1.17
Rot. Bonds4

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

7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 46877241) has the molecular formula C15H21N5O5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID46877241
Molecular FormulaC15H21N5O5
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC Name7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cn(C2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2ncnc(NC)c12
InChIInChI=1S/C15H21N5O5/c1-15(24)10(22)8(5-21)25-14(15)20-4-7(13(23)17-3)9-11(16-2)18-6-19-12(9)20/h4,6,8,10,14,21-22,24H,5H2,1-3H3,(H,17,23)(H,16,18,19)/t8-,10-,14?,15-/m1/s1
InChIKeyZGLFUXPZSWFJIJ-LKOJNXRCSA-N
XLogP-1.17
TPSA141.76 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-1.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 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) is 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)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]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide is CNC(=O)c1cn(C2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2ncnc(NC)c12.
What is the InChIKey of 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ZGLFUXPZSWFJIJ-LKOJNXRCSA-N. The full InChI is InChI=1S/C15H21N5O5/c1-15(24)10(22)8(5-21)25-14(15)20-4-7(13(23)17-3)9-11(16-2)18-6-19-12(9)20/h4,6,8,10,14,21-22,24H,5H2,1-3H3,(H,17,23)(H,16,18,19)/t8-,10-,14?,15-/m1/s1.
What are the key properties of 7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 351.36 g/mol, XLogP of -1.17, 4 rotatable bonds, 5 hydrogen bond donors, and 9 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]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 46877241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).