4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C13H15N5O5 — CID 142827493

IUPAC4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cn(C2C[C@H](O)C(CO)O2)c2ncnc(N)c2c1=O
InChIInChI=1S/C13H15N5O5/c14-11-9-10(21)5(12(15)22)2-18(13(9)17-4-16-11)8-1-6(20)7(3-19)23-8/h2,4,6-8,19-20H,1,3H2,(H2,15,22)(H2,14,16,17)/t6-,7?,8?/m0/s1
InChIKeyAEDLEGWMFWWKTP-KKMMWDRVSA-N
MW321.29 g/mol
LogP-1.89
Rot. Bonds3

About 4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 142827493) has the molecular formula C13H15N5O5 and a molecular weight of 321.29 g/mol. Its IUPAC name is 4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID142827493
Molecular FormulaC13H15N5O5
Molecular Weight321.29 g/mol
Exact Mass321.11
IUPAC Name4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cn(C2C[C@H](O)C(CO)O2)c2ncnc(N)c2c1=O
InChIInChI=1S/C13H15N5O5/c14-11-9-10(21)5(12(15)22)2-18(13(9)17-4-16-11)8-1-6(20)7(3-19)23-8/h2,4,6-8,19-20H,1,3H2,(H2,15,22)(H2,14,16,17)/t6-,7?,8?/m0/s1
InChIKeyAEDLEGWMFWWKTP-KKMMWDRVSA-N
XLogP-1.89
TPSA166.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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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
(2S,3R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154810042
5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 72614501
(2R,5R)-5-(4-amino-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 177120509
(2R,3S,5S)-5-[4-amino-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 54435537
4-amino-7-[(2R,5R)-5-(aminomethyl)-4-nitrosooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166799618
(2R,3S,5R)-5-[4-amino-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 15289169
(2R,3S,5R)-5-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 66553827
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
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 142827493) is 4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1cn(C2C[C@H](O)C(CO)O2)c2ncnc(N)c2c1=O.
What is the InChIKey of 4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AEDLEGWMFWWKTP-KKMMWDRVSA-N. The full InChI is InChI=1S/C13H15N5O5/c14-11-9-10(21)5(12(15)22)2-18(13(9)17-4-16-11)8-1-6(20)7(3-19)23-8/h2,4,6-8,19-20H,1,3H2,(H2,15,22)(H2,14,16,17)/t6-,7?,8?/m0/s1.
What are the key properties of 4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 321.29 g/mol, XLogP of -1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 142827493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).