2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide

C17H24N4OSi — CID 10592406

IUPAC2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide
SMILESCc1nc(NC(=O)C(C)(C)C)nc2[nH]cc(C#C[Si](C)(C)C)c12
InChIInChI=1S/C17H24N4OSi/c1-11-13-12(8-9-23(5,6)7)10-18-14(13)20-16(19-11)21-15(22)17(2,3)4/h10H,1-7H3,(H2,18,19,20,21,22)
InChIKeyXUQMKBOHOIMGFS-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.48
Rot. Bonds1

About 2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide

2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide (PubChem CID 10592406) has the molecular formula C17H24N4OSi and a molecular weight of 328.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide
PubChem CID10592406
Molecular FormulaC17H24N4OSi
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC Name2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide
SMILESCc1nc(NC(=O)C(C)(C)C)nc2[nH]cc(C#C[Si](C)(C)C)c12
InChIInChI=1S/C17H24N4OSi/c1-11-13-12(8-9-23(5,6)7)10-18-14(13)20-16(19-11)21-15(22)17(2,3)4/h10H,1-7H3,(H2,18,19,20,21,22)
InChIKeyXUQMKBOHOIMGFS-UHFFFAOYSA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.48
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

N-(5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 10570348
2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
CID 101166743
2,2-dimethyl-N-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propanamide
CID 39992264
N-(4,5-dichloro-9H-pyrimido[4,5-b]indol-2-yl)-2,2-dimethylpropanamide
CID 45103998
N-[4-[6-[4,6-bis(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide
CID 5246721
N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2,2-trifluoroacetamide
CID 162534510
2,2,2-trifluoro-N-[6-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
CID 59829966
N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide
CID 51370683
N-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2-methylpropanamide
CID 171922514
4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880578
2,2-dimethyl-N-(4-methyl-7-oxa-3-azabicyclo[4.1.0]hepta-1(6),2,4-trien-2-yl)propanamide
CID 141245355
[2-(2-trimethylsilylethynyl)phenyl]urea
CID 11299239

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide (CID 10592406) is 2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide is Cc1nc(NC(=O)C(C)(C)C)nc2[nH]cc(C#C[Si](C)(C)C)c12.
What is the InChIKey of 2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide?
The InChIKey is XUQMKBOHOIMGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OSi/c1-11-13-12(8-9-23(5,6)7)10-18-14(13)20-16(19-11)21-15(22)17(2,3)4/h10H,1-7H3,(H2,18,19,20,21,22).
What are the key properties of 2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide?
2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide has a molecular weight of 328.49 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-methyl-5-(2-trimethylsilylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 10592406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).