7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

C10H9IN4 — CID 142928982

IUPAC7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
SMILESCCn1c(CI)cc2cnc(C#N)nc21
InChIInChI=1S/C10H9IN4/c1-2-15-8(4-11)3-7-6-13-9(5-12)14-10(7)15/h3,6H,2,4H2,1H3
InChIKeyGOZZCHBBUOJZIV-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.26
Rot. Bonds2

About 7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile (PubChem CID 142928982) has the molecular formula C10H9IN4 and a molecular weight of 312.11 g/mol. Its IUPAC name is 7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
PubChem CID142928982
Molecular FormulaC10H9IN4
Molecular Weight312.11 g/mol
Exact Mass311.99
IUPAC Name7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
SMILESCCn1c(CI)cc2cnc(C#N)nc21
InChIInChI=1S/C10H9IN4/c1-2-15-8(4-11)3-7-6-13-9(5-12)14-10(7)15/h3,6H,2,4H2,1H3
InChIKeyGOZZCHBBUOJZIV-UHFFFAOYSA-N
XLogP2.26
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(2,2-dimethylpropyl)-6-(pyridin-4-yloxymethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 10155296
7-(2,2-dimethylpropyl)-6-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 59834582
6-[(4-chloro-N-methylanilino)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 10177030
4-[[2-cyano-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-6-yl]methyl]piperazine-1-carboximidamide
CID 59834686
7-(2,2-dimethylpropyl)-6-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxymethyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 59834690
4-(chloromethyl)-N'-[[2-cyano-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-6-yl]methyldiazenyl]benzenecarboximidamide
CID 163858440
7-[2-(4-chlorophenyl)ethyl]-6-[[3-(methoxymethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 69375427
7-(2,2-dimethylpropyl)-6-[(2,6-dioxo-4-phenylsulfanylpiperazin-1-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 87624648
6-[[5-[4-(chloromethyl)phenyl]tetrazol-2-yl]methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 59834611
7-(2,2-dimethylpropyl)-6-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 10272927
7-(2,2-dimethylpropyl)-6-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 59834688
4-(aminomethyl)-N'-[2-[[2-cyano-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-6-yl]methyl]hydrazinyl]benzenecarboximidamide
CID 142217395

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?
The IUPAC name of 7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile (CID 142928982) is 7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile.
What is the SMILES notation for 7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?
The canonical SMILES for 7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile is CCn1c(CI)cc2cnc(C#N)nc21.
What is the InChIKey of 7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?
The InChIKey is GOZZCHBBUOJZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN4/c1-2-15-8(4-11)3-7-6-13-9(5-12)14-10(7)15/h3,6H,2,4H2,1H3.
What are the key properties of 7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?
7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile has a molecular weight of 312.11 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-(iodomethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 142928982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).