2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine

C10H10ClN3O — CID 155786317

IUPAC2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESC=C(OCC)c1nc(Cl)nc2cc[nH]c12
InChIInChI=1S/C10H10ClN3O/c1-3-15-6(2)8-9-7(4-5-12-9)13-10(11)14-8/h4-5,12H,2-3H2,1H3
InChIKeyDYUBUIUDXRRDES-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.62
Rot. Bonds3

About 2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine

2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 155786317) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID155786317
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESC=C(OCC)c1nc(Cl)nc2cc[nH]c12
InChIInChI=1S/C10H10ClN3O/c1-3-15-6(2)8-9-7(4-5-12-9)13-10(11)14-8/h4-5,12H,2-3H2,1H3
InChIKeyDYUBUIUDXRRDES-UHFFFAOYSA-N
XLogP2.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-(1-ethoxyethenyl)-7H-purine
CID 18670312
5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine
CID 11030208
2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine
CID 137371492
2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine
CID 178022025
3-(1-ethoxyethenyl)-2,5-dimethylpyrazine
CID 169267308
2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641367
2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine
CID 166887001
5-(1-ethoxyethenyl)-1H-imidazole
CID 67268300
2-bromo-5-chloro-3-methylpyrazine;5-chloro-2-(1-ethoxyethenyl)-3-methylpyrazine
CID 178181743
4-methyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboxamide
CID 67033604
4-(1-ethoxyethenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 142066192
2-chloro-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138958438

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine (CID 155786317) is 2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine is C=C(OCC)c1nc(Cl)nc2cc[nH]c12.
What is the InChIKey of 2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is DYUBUIUDXRRDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-3-15-6(2)8-9-7(4-5-12-9)13-10(11)14-8/h4-5,12H,2-3H2,1H3.
What are the key properties of 2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine?
2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 223.66 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-ethoxyethenyl)-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 155786317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).