(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide

C19H23N5O6 — CID 51361695

IUPAC(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)c1C
InChIInChI=1S/C19H23N5O6/c1-9-4-3-5-11(10(9)2)22-13(25)8-21-17(28)16-14(26)15(27)18(30-16)24-7-6-12(20)23-19(24)29/h3-7,14-16,18,26-27H,8H2,1-2H3,(H,21,28)(H,22,25)(H2,20,23,29)/t14-,15+,16-,18+/m0/s1
InChIKeyOSTYAAHREOCFRG-UIBIWLFHSA-N
MW417.42 g/mol
LogP-1.18
Rot. Bonds5

About (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide

(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide (PubChem CID 51361695) has the molecular formula C19H23N5O6 and a molecular weight of 417.42 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide
PubChem CID51361695
Molecular FormulaC19H23N5O6
Molecular Weight417.42 g/mol
Exact Mass417.16
IUPAC Name(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)c1C
InChIInChI=1S/C19H23N5O6/c1-9-4-3-5-11(10(9)2)22-13(25)8-21-17(28)16-14(26)15(27)18(30-16)24-7-6-12(20)23-19(24)29/h3-7,14-16,18,26-27H,8H2,1-2H3,(H,21,28)(H,22,25)(H2,20,23,29)/t14-,15+,16-,18+/m0/s1
InChIKeyOSTYAAHREOCFRG-UIBIWLFHSA-N
XLogP-1.18
TPSA168.80 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 5-1.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide (CID 51361695) is (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide is Cc1cccc(NC(=O)CNC(=O)[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)c1C.
What is the InChIKey of (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide?
The InChIKey is OSTYAAHREOCFRG-UIBIWLFHSA-N. The full InChI is InChI=1S/C19H23N5O6/c1-9-4-3-5-11(10(9)2)22-13(25)8-21-17(28)16-14(26)15(27)18(30-16)24-7-6-12(20)23-19(24)29/h3-7,14-16,18,26-27H,8H2,1-2H3,(H,21,28)(H,22,25)(H2,20,23,29)/t14-,15+,16-,18+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide?
(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide has a molecular weight of 417.42 g/mol, XLogP of -1.18, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3,4-dihydroxyoxolane-2-carboxamide is sourced from PubChem (CID 51361695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).