9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine

C30H49N5O3Si2 — CID 11801419

IUPAC9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C(Cn2cnc3c(OCc4ccccc4)nc(N)nc32)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H49N5O3Si2/c1-29(2,3)39(7,8)37-18-23-22(24(23)19-38-40(9,10)30(4,5)6)16-35-20-32-25-26(35)33-28(31)34-27(25)36-17-21-14-12-11-13-15-21/h11-15,20,22-24H,16-19H2,1-10H3,(H2,31,33,34)/t23-,24-/m0/s1
InChIKeyFUPJRRWTXRMBIL-ZEQRLZLVSA-N
MW583.93 g/mol
LogP6.89
Rot. Bonds11

About 9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine

9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine (PubChem CID 11801419) has the molecular formula C30H49N5O3Si2 and a molecular weight of 583.93 g/mol. Its IUPAC name is 9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine.

Molecular Properties

Compound Name9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine
PubChem CID11801419
Molecular FormulaC30H49N5O3Si2
Molecular Weight583.93 g/mol
Exact Mass583.34
IUPAC Name9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C(Cn2cnc3c(OCc4ccccc4)nc(N)nc32)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H49N5O3Si2/c1-29(2,3)39(7,8)37-18-23-22(24(23)19-38-40(9,10)30(4,5)6)16-35-20-32-25-26(35)33-28(31)34-27(25)36-17-21-14-12-11-13-15-21/h11-15,20,22-24H,16-19H2,1-10H3,(H2,31,33,34)/t23-,24-/m0/s1
InChIKeyFUPJRRWTXRMBIL-ZEQRLZLVSA-N
XLogP6.89
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.93
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-6-phenylmethoxypurin-9-yl)methanol
CID 91583081
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane
CID 11071526
methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
CID 10425718
(2S)-1-(2-amino-6-phenylmethoxypurin-9-yl)-3-methoxypropan-2-ol
CID 67451064
9-[2-(2-diethoxyphosphorylpropan-2-yloxy)ethyl]-6-phenylmethoxypurin-2-amine
CID 15667236
5-(2-amino-6-phenylmethoxypurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclopentan-1-ol
CID 142675437
(3S)-4-(2-amino-6-phenylmethoxypurin-9-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 101219528
9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-[(2-nitrophenyl)methoxy]purin-2-amine
CID 164884977
6-methoxy-9-[2-(phenylmethoxyphosphanylmethoxy)ethyl]purin-2-amine
CID 177172491
(2R,4R,5R)-2-(2-amino-6-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 71313823
6-phenylmethoxy-9-[1-(2-phenylmethoxy-1,3,2-dioxaphosphinan-5-yl)ethyl]purin-2-amine
CID 70395886
9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine
CID 90323864

Frequently Asked Questions

What is the IUPAC name of 9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine?
The IUPAC name of 9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine (CID 11801419) is 9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine.
What is the SMILES notation for 9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine?
The canonical SMILES for 9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine is CC(C)(C)[Si](C)(C)OC[C@H]1C(Cn2cnc3c(OCc4ccccc4)nc(N)nc32)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine?
The InChIKey is FUPJRRWTXRMBIL-ZEQRLZLVSA-N. The full InChI is InChI=1S/C30H49N5O3Si2/c1-29(2,3)39(7,8)37-18-23-22(24(23)19-38-40(9,10)30(4,5)6)16-35-20-32-25-26(35)33-28(31)34-27(25)36-17-21-14-12-11-13-15-21/h11-15,20,22-24H,16-19H2,1-10H3,(H2,31,33,34)/t23-,24-/m0/s1.
What are the key properties of 9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine?
9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine has a molecular weight of 583.93 g/mol, XLogP of 6.89, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methyl]-6-phenylmethoxypurin-2-amine is sourced from PubChem (CID 11801419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).