N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide

C37H54N4O6Si2 — CID 102403764

IUPACN-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NCC#Cc3cn([C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O4)c(=O)[nH]c3=O)ccc2c1
InChIInChI=1S/C37H54N4O6Si2/c1-36(2,3)48(9,10)45-24-31-30(47-49(11,12)37(4,5)6)22-32(46-31)41-23-28(34(43)39-35(41)44)14-13-19-38-33(42)27-16-15-26-21-29(40(7)8)18-17-25(26)20-27/h15-18,20-21,23,30-32H,19,22,24H2,1-12H3,(H,38,42)(H,39,43,44)/t30-,31+,32+/m0/s1
InChIKeyOREHGCVNZPFDKP-DCMFLLSESA-N
MW707.03 g/mol
LogP6.24
Rot. Bonds9

About N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide

N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide (PubChem CID 102403764) has the molecular formula C37H54N4O6Si2 and a molecular weight of 707.03 g/mol. Its IUPAC name is N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide
PubChem CID102403764
Molecular FormulaC37H54N4O6Si2
Molecular Weight707.03 g/mol
Exact Mass706.36
IUPAC NameN-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NCC#Cc3cn([C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O4)c(=O)[nH]c3=O)ccc2c1
InChIInChI=1S/C37H54N4O6Si2/c1-36(2,3)48(9,10)45-24-31-30(47-49(11,12)37(4,5)6)22-32(46-31)41-23-28(34(43)39-35(41)44)14-13-19-38-33(42)27-16-15-26-21-29(40(7)8)18-17-25(26)20-27/h15-18,20-21,23,30-32H,19,22,24H2,1-12H3,(H,38,42)(H,39,43,44)/t30-,31+,32+/m0/s1
InChIKeyOREHGCVNZPFDKP-DCMFLLSESA-N
XLogP6.24
TPSA114.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.03
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide with MolForge

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Related Compounds

5-[3-(benzylamino)oxyprop-1-ynyl]-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 59336560
5-[3-[6-(dimethylamino)naphthalen-2-yl]-3-oxoprop-1-ynyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 102403758
tert-butyl N-[3-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-oxobutoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]carbamate
CID 163598230
CID 101264549
CID 101264549
5-(azidomethyl)-1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 134837835
N-[3-[1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1-ethoxyethoxy)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
CID 155631232
1-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-4-N-[3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]benzene-1,4-dicarboxamide
CID 171612828
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-deuteriopyrimidine-2,4-dione
CID 14311092
5-[2-[4-(dimethylamino)phenyl]ethynyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 101060454
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
[9-[2-carboxy-5-[2-[2-[2-[3-[1-[(2S,4S,5R)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynylcarbamoyloxy]ethoxy]propan-2-yloxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
CID 132577458
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[(2-methyl-1-phenylpropoxy)methyl]pyrimidine-2,4-dione
CID 67265881

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide?
The IUPAC name of N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide (CID 102403764) is N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide is CN(C)c1ccc2cc(C(=O)NCC#Cc3cn([C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O4)c(=O)[nH]c3=O)ccc2c1.
What is the InChIKey of N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide?
The InChIKey is OREHGCVNZPFDKP-DCMFLLSESA-N. The full InChI is InChI=1S/C37H54N4O6Si2/c1-36(2,3)48(9,10)45-24-31-30(47-49(11,12)37(4,5)6)22-32(46-31)41-23-28(34(43)39-35(41)44)14-13-19-38-33(42)27-16-15-26-21-29(40(7)8)18-17-25(26)20-27/h15-18,20-21,23,30-32H,19,22,24H2,1-12H3,(H,38,42)(H,39,43,44)/t30-,31+,32+/m0/s1.
What are the key properties of N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide?
N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide has a molecular weight of 707.03 g/mol, XLogP of 6.24, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-(dimethylamino)naphthalene-2-carboxamide is sourced from PubChem (CID 102403764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).