4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one

C23H42N4O7SSi2 — CID 137324142

IUPAC4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one
SMILESCc1cn([C@@H]2O[C@H](O[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)nc1N
InChIInChI=1S/C23H42N4O7SSi2/c1-14-12-27(20(28)26-17(14)25)18-16(32-36(8,9)21(2,3)4)23(15(24)13-35(29,30)34-23)19(31-18)33-37(10,11)22(5,6)7/h12-13,16,18-19H,24H2,1-11H3,(H2,25,26,28)/t16?,18-,19-,23?/m1/s1
InChIKeyNTAXTNMDOZZEMU-VROYJQPTSA-N
MW574.85 g/mol
LogP3.30
Rot. Bonds5

About 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one

4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one (PubChem CID 137324142) has the molecular formula C23H42N4O7SSi2 and a molecular weight of 574.85 g/mol. Its IUPAC name is 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one
PubChem CID137324142
Molecular FormulaC23H42N4O7SSi2
Molecular Weight574.85 g/mol
Exact Mass574.23
IUPAC Name4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one
SMILESCc1cn([C@@H]2O[C@H](O[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)nc1N
InChIInChI=1S/C23H42N4O7SSi2/c1-14-12-27(20(28)26-17(14)25)18-16(32-36(8,9)21(2,3)4)23(15(24)13-35(29,30)34-23)19(31-18)33-37(10,11)22(5,6)7/h12-13,16,18-19H,24H2,1-11H3,(H2,25,26,28)/t16?,18-,19-,23?/m1/s1
InChIKeyNTAXTNMDOZZEMU-VROYJQPTSA-N
XLogP3.30
TPSA157.99 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.85
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one (CID 137324142) is 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one is Cc1cn([C@@H]2O[C@H](O[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c(=O)nc1N.
What is the InChIKey of 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one?
The InChIKey is NTAXTNMDOZZEMU-VROYJQPTSA-N. The full InChI is InChI=1S/C23H42N4O7SSi2/c1-14-12-27(20(28)26-17(14)25)18-16(32-36(8,9)21(2,3)4)23(15(24)13-35(29,30)34-23)19(31-18)33-37(10,11)22(5,6)7/h12-13,16,18-19H,24H2,1-11H3,(H2,25,26,28)/t16?,18-,19-,23?/m1/s1.
What are the key properties of 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one has a molecular weight of 574.85 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(6R,8R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 137324142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).