(3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C18H20N4O4 — CID 142117864

IUPAC(3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc(-c2ccccc2)c2c(n1)N(C1O[C@H](CO)[C@@H](O)[C@H]1O)C=CC2
InChIInChI=1S/C18H20N4O4/c19-18-20-13(10-5-2-1-3-6-10)11-7-4-8-22(16(11)21-18)17-15(25)14(24)12(9-23)26-17/h1-6,8,12,14-15,17,23-25H,7,9H2,(H2,19,20,21)/t12-,14-,15-,17?/m1/s1
InChIKeyYBEDVLHKFVAHEH-UBEPTHPKSA-N
MW356.38 g/mol
LogP0.04
Rot. Bonds3

About (3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 142117864) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID142117864
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name(3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc(-c2ccccc2)c2c(n1)N(C1O[C@H](CO)[C@@H](O)[C@H]1O)C=CC2
InChIInChI=1S/C18H20N4O4/c19-18-20-13(10-5-2-1-3-6-10)11-7-4-8-22(16(11)21-18)17-15(25)14(24)12(9-23)26-17/h1-6,8,12,14-15,17,23-25H,7,9H2,(H2,19,20,21)/t12-,14-,15-,17?/m1/s1
InChIKeyYBEDVLHKFVAHEH-UBEPTHPKSA-N
XLogP0.04
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 44626659
(2R,3R,4S,5R)-2-(4-benzylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44194402
(2R,3R,4R,5R)-2-(4-amino-5-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
CID 71596936
(2S,3R,4S,5R)-2-[4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-phenylpyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 71732469
(2S,3R,4S,5R)-2-[4-(4-fluorophenyl)-6-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 71732470
[(2R,3S,4R,5R)-5-[[5-amino-6-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-chloroamino]-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
CID 143274513
2-(beta-D-Ribofuranosyl)-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 71732378
(2R,3S,4R)-2-(4-benzylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 86576507
(3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-3,4-diol
CID 86576508
(2R,5R)-2-(2-amino-4-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
CID 129906273
(2R,3R,4R,5R)-2-(2-amino-4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 10405964
4-Amino-2-phenyl-8-(2-deoxy-beta-D-ribofuranosyl)-pteridine-7-one
CID 15403914

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 142117864) is (3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Nc1nc(-c2ccccc2)c2c(n1)N(C1O[C@H](CO)[C@@H](O)[C@H]1O)C=CC2.
What is the InChIKey of (3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is YBEDVLHKFVAHEH-UBEPTHPKSA-N. The full InChI is InChI=1S/C18H20N4O4/c19-18-20-13(10-5-2-1-3-6-10)11-7-4-8-22(16(11)21-18)17-15(25)14(24)12(9-23)26-17/h1-6,8,12,14-15,17,23-25H,7,9H2,(H2,19,20,21)/t12-,14-,15-,17?/m1/s1.
What are the key properties of (3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 356.38 g/mol, XLogP of 0.04, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(2-amino-4-phenyl-5H-pyrido[2,3-d]pyrimidin-8-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 142117864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).