6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one

C15H25N3OSi — CID 156692419

IUPAC6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one
SMILESCC(C)[Si](C#Cc1cnc(=O)[nH]c1N)(C(C)C)C(C)C
InChIInChI=1S/C15H25N3OSi/c1-10(2)20(11(3)4,12(5)6)8-7-13-9-17-15(19)18-14(13)16/h9-12H,1-6H3,(H3,16,17,18,19)
InChIKeyJTRJVGBGOQYLDE-UHFFFAOYSA-N
MW291.47 g/mol
LogP2.92
Rot. Bonds3

About 6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one

6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one (PubChem CID 156692419) has the molecular formula C15H25N3OSi and a molecular weight of 291.47 g/mol. Its IUPAC name is 6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one
PubChem CID156692419
Molecular FormulaC15H25N3OSi
Molecular Weight291.47 g/mol
Exact Mass291.18
IUPAC Name6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one
SMILESCC(C)[Si](C#Cc1cnc(=O)[nH]c1N)(C(C)C)C(C)C
InChIInChI=1S/C15H25N3OSi/c1-10(2)20(11(3)4,12(5)6)8-7-13-9-17-15(19)18-14(13)16/h9-12H,1-6H3,(H3,16,17,18,19)
InChIKeyJTRJVGBGOQYLDE-UHFFFAOYSA-N
XLogP2.92
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 52.92
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-trimethylsilylethynyl)-1H-pyrimidin-2-one
CID 156692417
6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one
CID 82075087
N-[3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-ynyl]cyclohexanesulfonamide
CID 172676943
2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one
CID 11136543
6-amino-5-(difluoromethyl)-1H-pyrimidin-2-one
CID 23158405
6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane
CID 142546478
6-amino-5-methoxy-1H-pyrimidin-2-one
CID 15422742
6-amino-5-(prop-1-ynylamino)-1H-pyrimidin-2-one
CID 176913214
2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline
CID 123985583
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
tri(propan-2-yl)-[2-[5-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]ethynyl]silane
CID 169050439

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one (CID 156692419) is 6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one is CC(C)[Si](C#Cc1cnc(=O)[nH]c1N)(C(C)C)C(C)C.
What is the InChIKey of 6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one?
The InChIKey is JTRJVGBGOQYLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OSi/c1-10(2)20(11(3)4,12(5)6)8-7-13-9-17-15(19)18-14(13)16/h9-12H,1-6H3,(H3,16,17,18,19).
What are the key properties of 6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one?
6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one has a molecular weight of 291.47 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 156692419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).