6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione

C22H27N3O3Si — CID 59187987

IUPAC6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](OCCn1c(N)cc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N3O3Si/c1-22(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)28-15-14-25-19(23)16-20(26)24-21(25)27/h4-13,16H,14-15,23H2,1-3H3,(H,24,26,27)
InChIKeyMTNFVNFAVYRUCQ-UHFFFAOYSA-N
MW409.56 g/mol
LogP1.70
Rot. Bonds6

About 6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione

6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione (PubChem CID 59187987) has the molecular formula C22H27N3O3Si and a molecular weight of 409.56 g/mol. Its IUPAC name is 6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione
PubChem CID59187987
Molecular FormulaC22H27N3O3Si
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](OCCn1c(N)cc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N3O3Si/c1-22(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)28-15-14-25-19(23)16-20(26)24-21(25)27/h4-13,16H,14-15,23H2,1-3H3,(H,24,26,27)
InChIKeyMTNFVNFAVYRUCQ-UHFFFAOYSA-N
XLogP1.70
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione (CID 59187987) is 6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione is CC(C)(C)[Si](OCCn1c(N)cc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione?
The InChIKey is MTNFVNFAVYRUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3Si/c1-22(2,3)29(17-10-6-4-7-11-17,18-12-8-5-9-13-18)28-15-14-25-19(23)16-20(26)24-21(25)27/h4-13,16H,14-15,23H2,1-3H3,(H,24,26,27).
What are the key properties of 6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione?
6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione has a molecular weight of 409.56 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 59187987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).