6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one

C9H13N3OSi — CID 156692417

IUPAC6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
SMILESC[Si](C)(C)C#Cc1cnc(=O)[nH]c1N
InChIInChI=1S/C9H13N3OSi/c1-14(2,3)5-4-7-6-11-9(13)12-8(7)10/h6H,1-3H3,(H3,10,11,12,13)
InChIKeyQRYBTHURFHWVAS-UHFFFAOYSA-N
MW207.31 g/mol
LogP0.58
Rot. Bonds

About 6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one

6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one (PubChem CID 156692417) has the molecular formula C9H13N3OSi and a molecular weight of 207.31 g/mol. Its IUPAC name is 6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
PubChem CID156692417
Molecular FormulaC9H13N3OSi
Molecular Weight207.31 g/mol
Exact Mass207.08
IUPAC Name6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
SMILESC[Si](C)(C)C#Cc1cnc(=O)[nH]c1N
InChIInChI=1S/C9H13N3OSi/c1-14(2,3)5-4-7-6-11-9(13)12-8(7)10/h6H,1-3H3,(H3,10,11,12,13)
InChIKeyQRYBTHURFHWVAS-UHFFFAOYSA-N
XLogP0.58
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one
CID 156692419
N-[3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-ynyl]cyclohexanesulfonamide
CID 172676943
6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane
CID 142546478
6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
CID 22619750
6-amino-5-methoxy-1H-pyrimidin-2-one
CID 15422742
6-amino-5-(prop-1-ynylamino)-1H-pyrimidin-2-one
CID 176913214
6-methyl-5-(2-trimethylsilylethynyl)pyridin-3-amine
CID 171781768
6-amino-5-methyl-1H-pyrimidin-2-one;phosphoric acid
CID 173262300
6-amino-5-bromo-1H-pyrimidin-2-one;6-amino-5-methyl-1H-pyrimidin-2-one
CID 158467141
6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one
CID 23158405
6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine
CID 172555112
6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one
CID 18970222

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one (CID 156692417) is 6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one is C[Si](C)(C)C#Cc1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one?
The InChIKey is QRYBTHURFHWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OSi/c1-14(2,3)5-4-7-6-11-9(13)12-8(7)10/h6H,1-3H3,(H3,10,11,12,13).
What are the key properties of 6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one?
6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one has a molecular weight of 207.31 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 156692417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).