2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C28H32N4O2Si — CID 175934138

IUPAC2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)(C)[Si](OCC1CC=C(c2nc(N)c3cccn3n2)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N4O2Si/c1-28(2,3)35(23-11-6-4-7-12-23,24-13-8-5-9-14-24)34-20-22-17-16-21(19-33-22)27-30-26(29)25-15-10-18-32(25)31-27/h4-16,18,22H,17,19-20H2,1-3H3,(H2,29,30,31)
InChIKeyKXVKYVVCLKFBRP-UHFFFAOYSA-N
MW484.68 g/mol
LogP4.06
Rot. Bonds6

About 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 175934138) has the molecular formula C28H32N4O2Si and a molecular weight of 484.68 g/mol. Its IUPAC name is 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID175934138
Molecular FormulaC28H32N4O2Si
Molecular Weight484.68 g/mol
Exact Mass484.23
IUPAC Name2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)(C)[Si](OCC1CC=C(c2nc(N)c3cccn3n2)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N4O2Si/c1-28(2,3)35(23-11-6-4-7-12-23,24-13-8-5-9-14-24)34-20-22-17-16-21(19-33-22)27-30-26(29)25-15-10-18-32(25)31-27/h4-16,18,22H,17,19-20H2,1-3H3,(H2,29,30,31)
InChIKeyKXVKYVVCLKFBRP-UHFFFAOYSA-N
XLogP4.06
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.68
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methoxy]-diphenylsilane
CID 90424169
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442
tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane
CID 90339250
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
9-[(2R,3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-fluoropurin-6-amine
CID 10839282
(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile
CID 66588772

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 175934138) is 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)(C)[Si](OCC1CC=C(c2nc(N)c3cccn3n2)CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is KXVKYVVCLKFBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2Si/c1-28(2,3)35(23-11-6-4-7-12-23,24-13-8-5-9-14-24)34-20-22-17-16-21(19-33-22)27-30-26(29)25-15-10-18-32(25)31-27/h4-16,18,22H,17,19-20H2,1-3H3,(H2,29,30,31).
What are the key properties of 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 484.68 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 175934138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).