CID 69303404

C19H34N5O3Si — CID 69303404

IUPAC—
SMILESCCCCOC(C(CCn1cnc2c(N)ncnc21)OC(C)OCC)[Si](C)C
InChIInChI=1S/C19H34N5O3Si/c1-6-8-11-26-19(28(4)5)15(27-14(3)25-7-2)9-10-24-13-23-16-17(20)21-12-22-18(16)24/h12-15,19H,6-11H2,1-5H3,(H2,20,21,22)
InChIKeyLWJLKAVLTMXBPJ-UHFFFAOYSA-N
MW408.60 g/mol
LogP3.05
Rot. Bonds13

About CID 69303404

CID 69303404 (PubChem CID 69303404) has the molecular formula C19H34N5O3Si and a molecular weight of 408.60 g/mol.

Molecular Properties

Compound NameCID 69303404
PubChem CID69303404
Molecular FormulaC19H34N5O3Si
Molecular Weight408.60 g/mol
Exact Mass408.24
IUPAC Name—
SMILESCCCCOC(C(CCn1cnc2c(N)ncnc21)OC(C)OCC)[Si](C)C
InChIInChI=1S/C19H34N5O3Si/c1-6-8-11-26-19(28(4)5)15(27-14(3)25-7-2)9-10-24-13-23-16-17(20)21-12-22-18(16)24/h12-15,19H,6-11H2,1-5H3,(H2,20,21,22)
InChIKeyLWJLKAVLTMXBPJ-UHFFFAOYSA-N
XLogP3.05
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.60
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 69303040
CID 69303040
3-(6-aminopurin-9-yl)-1-hexadecoxypropan-1-ol
CID 70306158
9-nonylpurin-6-amine
CID 3816519
9-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]purin-6-amine
CID 66425509
9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride
CID 126459868
9-[2-(pentylamino)ethyl]purin-6-amine
CID 154003218
1-[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxyhenicosane-3,3-dithiol
CID 175557877
9-[3-(2,2,2-trifluoroethoxy)propyl]purin-6-amine
CID 55215661
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
CID 115688477
[2-[(6-aminopurin-9-yl)methoxy]-3-butoxycarbonyloxypropyl] butyl carbonate
CID 70450455
9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine
CID 63718095
3-[3-(6-aminopurin-9-yl)propylsulfanyl]butan-1-ol
CID 66336137

Frequently Asked Questions

What is the IUPAC name of CID 69303404?
The IUPAC name of CID 69303404 (CID 69303404) is not available.
What is the SMILES notation for CID 69303404?
The canonical SMILES for CID 69303404 is CCCCOC(C(CCn1cnc2c(N)ncnc21)OC(C)OCC)[Si](C)C.
What is the InChIKey of CID 69303404?
The InChIKey is LWJLKAVLTMXBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N5O3Si/c1-6-8-11-26-19(28(4)5)15(27-14(3)25-7-2)9-10-24-13-23-16-17(20)21-12-22-18(16)24/h12-15,19H,6-11H2,1-5H3,(H2,20,21,22).
What are the key properties of CID 69303404?
CID 69303404 has a molecular weight of 408.60 g/mol, XLogP of 3.05, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69303404 is sourced from PubChem (CID 69303404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).