4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C13H13N5O6 — CID 147297192

IUPAC4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cn(C2=C(O)[C@H](O)[C@@H](CO)O2)c2ncnc(N)c2c1=O
InChIInChI=1S/C13H13N5O6/c14-10-6-7(20)4(11(15)23)1-18(12(6)17-3-16-10)13-9(22)8(21)5(2-19)24-13/h1,3,5,8,19,21-22H,2H2,(H2,15,23)(H2,14,16,17)/t5-,8-/m1/s1
InChIKeyCVIUMRZXDYOGML-SVGQVSJJSA-N
MW335.28 g/mol
LogP-2.09
Rot. Bonds3

About 4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 147297192) has the molecular formula C13H13N5O6 and a molecular weight of 335.28 g/mol. Its IUPAC name is 4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID147297192
Molecular FormulaC13H13N5O6
Molecular Weight335.28 g/mol
Exact Mass335.09
IUPAC Name4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cn(C2=C(O)[C@H](O)[C@@H](CO)O2)c2ncnc(N)c2c1=O
InChIInChI=1S/C13H13N5O6/c14-10-6-7(20)4(11(15)23)1-18(12(6)17-3-16-10)13-9(22)8(21)5(2-19)24-13/h1,3,5,8,19,21-22H,2H2,(H2,15,23)(H2,14,16,17)/t5-,8-/m1/s1
InChIKeyCVIUMRZXDYOGML-SVGQVSJJSA-N
XLogP-2.09
TPSA186.81 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

4-amino-8-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 156597119
4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 142827493
4-amino-7-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 512291
4-amino-7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 10020183
N',4-diamino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboximidamide
CID 175677675
7-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 136766516
7-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 136842872
4-amino-7-[(3R,4R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 58645414
4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166799618
(2R,3S,5S)-5-[4-amino-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 54435537
(2R,3R,4S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 155745123
4-amino-7-[(2R,3R,4R,5R)-5-(2-amino-1-hydroxyethyl)-3,4-dihydroxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 10472290

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 147297192) is 4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1cn(C2=C(O)[C@H](O)[C@@H](CO)O2)c2ncnc(N)c2c1=O.
What is the InChIKey of 4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CVIUMRZXDYOGML-SVGQVSJJSA-N. The full InChI is InChI=1S/C13H13N5O6/c14-10-6-7(20)4(11(15)23)1-18(12(6)17-3-16-10)13-9(22)8(21)5(2-19)24-13/h1,3,5,8,19,21-22H,2H2,(H2,15,23)(H2,14,16,17)/t5-,8-/m1/s1.
What are the key properties of 4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 335.28 g/mol, XLogP of -2.09, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[(2R,3R)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydrofuran-5-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 147297192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).