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

C15H19N5O4 — CID 15954973

IUPAC7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCN(C)c1ncnc2c1c(C#N)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C15H19N5O4/c1-15(23)11(22)9(6-21)24-14(15)20-5-8(4-16)10-12(19(2)3)17-7-18-13(10)20/h5,7,9,11,14,21-23H,6H2,1-3H3/t9-,11-,14-,15-/m1/s1
InChIKeyFTDSCTXRPYTWJB-NZQZLILVSA-N
MW333.35 g/mol
LogP-0.63
Rot. Bonds3

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

7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 15954973) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID15954973
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCN(C)c1ncnc2c1c(C#N)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C15H19N5O4/c1-15(23)11(22)9(6-21)24-14(15)20-5-8(4-16)10-12(19(2)3)17-7-18-13(10)20/h5,7,9,11,14,21-23H,6H2,1-3H3/t9-,11-,14-,15-/m1/s1
InChIKeyFTDSCTXRPYTWJB-NZQZLILVSA-N
XLogP-0.63
TPSA127.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 46877255
2-(4-amino-5-ethynylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58777209
3-[4-amino-7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]-N,N-dimethylprop-2-ynamide
CID 11268853
(3R,4R,5R)-2-[5-ethynyl-4-(hydroxyamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 91193284
(3R)-2-[5-ethynyl-4-(hydroxyamino)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58681709
(2R,3R,4R,5R)-2-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 15956205
(2R,3R,4R,5R)-2-[4-(hydroxyamino)-5-(2-trimethylsilylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 11646837
(2R,3R,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 90191232
(2R,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 70837581
(2R,4R,5R)-2-(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 89127321
(3S,4R)-2-[4-amino-5-[2-(4-methoxyphenyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 162168079
(3R)-2-[4-amino-5-[2-(4-methoxyphenyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58759382

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 15954973) is 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CN(C)c1ncnc2c1c(C#N)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O.
What is the InChIKey of 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is FTDSCTXRPYTWJB-NZQZLILVSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-15(23)11(22)9(6-21)24-14(15)20-5-8(4-16)10-12(19(2)3)17-7-18-13(10)20/h5,7,9,11,14,21-23H,6H2,1-3H3/t9-,11-,14-,15-/m1/s1.
What are the key properties of 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 333.35 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 15954973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).