2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine

C11H12Cl3N3 — CID 146330797

IUPAC2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
SMILESCC(C)=C(Cl)C1c2nc(Cl)ncc2N(C)C1Cl
InChIInChI=1S/C11H12Cl3N3/c1-5(2)8(12)7-9-6(17(3)10(7)13)4-15-11(14)16-9/h4,7,10H,1-3H3
InChIKeyIWTKZFKTFOHTBJ-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.76
Rot. Bonds1

About 2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine

2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine (PubChem CID 146330797) has the molecular formula C11H12Cl3N3 and a molecular weight of 292.60 g/mol. Its IUPAC name is 2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
PubChem CID146330797
Molecular FormulaC11H12Cl3N3
Molecular Weight292.60 g/mol
Exact Mass291.01
IUPAC Name2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
SMILESCC(C)=C(Cl)C1c2nc(Cl)ncc2N(C)C1Cl
InChIInChI=1S/C11H12Cl3N3/c1-5(2)8(12)7-9-6(17(3)10(7)13)4-15-11(14)16-9/h4,7,10H,1-3H3
InChIKeyIWTKZFKTFOHTBJ-UHFFFAOYSA-N
XLogP3.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine (CID 146330797) is 2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine is CC(C)=C(Cl)C1c2nc(Cl)ncc2N(C)C1Cl.
What is the InChIKey of 2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
The InChIKey is IWTKZFKTFOHTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3N3/c1-5(2)8(12)7-9-6(17(3)10(7)13)4-15-11(14)16-9/h4,7,10H,1-3H3.
What are the key properties of 2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine has a molecular weight of 292.60 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-7-(1-chloro-2-methylprop-1-enyl)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 146330797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).