5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one

C14H22IN3O2Si — CID 167537057

IUPAC5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(I)cn2COCC[Si](C)(C)C)c(=O)n1C
InChIInChI=1S/C14H22IN3O2Si/c1-10-16-13-12(14(19)17(10)2)11(15)8-18(13)9-20-6-7-21(3,4)5/h8H,6-7,9H2,1-5H3
InChIKeyNLVXQKGLNKDFFO-UHFFFAOYSA-N
MW419.34 g/mol
LogP2.96
Rot. Bonds5

About 5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one

5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 167537057) has the molecular formula C14H22IN3O2Si and a molecular weight of 419.34 g/mol. Its IUPAC name is 5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID167537057
Molecular FormulaC14H22IN3O2Si
Molecular Weight419.34 g/mol
Exact Mass419.05
IUPAC Name5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(I)cn2COCC[Si](C)(C)C)c(=O)n1C
InChIInChI=1S/C14H22IN3O2Si/c1-10-16-13-12(14(19)17(10)2)11(15)8-18(13)9-20-6-7-21(3,4)5/h8H,6-7,9H2,1-5H3
InChIKeyNLVXQKGLNKDFFO-UHFFFAOYSA-N
XLogP2.96
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-5-iodo-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86706959
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
2-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 167542684
2-[(2-chloro-4-cyclopentyloxy-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86726423
2-[[2-chloro-5-iodo-4-(1-methylcyclobutyl)oxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 86726484
2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 155673212
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 58395851
1-[3-chloro-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]ethanone
CID 157393930
methyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 162383246
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
methyl 3-amino-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 142755280
2-chloro-5-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 133061792

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 167537057) is 5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one is Cc1nc2c(c(I)cn2COCC[Si](C)(C)C)c(=O)n1C.
What is the InChIKey of 5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is NLVXQKGLNKDFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3O2Si/c1-10-16-13-12(14(19)17(10)2)11(15)8-18(13)9-20-6-7-21(3,4)5/h8H,6-7,9H2,1-5H3.
What are the key properties of 5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 419.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 167537057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).