4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine

C11H13Cl3N2 — CID 112569410

IUPAC4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine
SMILESCC(Cl)c1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C11H13Cl3N2/c1-6(12)11-15-9(13)8(10(14)16-11)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKeyFHVCIRZOOKFMDJ-UHFFFAOYSA-N
MW279.60 g/mol
LogP4.74
Rot. Bonds2

About 4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine

4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine (PubChem CID 112569410) has the molecular formula C11H13Cl3N2 and a molecular weight of 279.60 g/mol. Its IUPAC name is 4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine
PubChem CID112569410
Molecular FormulaC11H13Cl3N2
Molecular Weight279.60 g/mol
Exact Mass278.01
IUPAC Name4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine
SMILESCC(Cl)c1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C11H13Cl3N2/c1-6(12)11-15-9(13)8(10(14)16-11)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKeyFHVCIRZOOKFMDJ-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.60
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine
CID 116706723
4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine
CID 112569446
4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
CID 115926489
4,6-dichloro-5-cyclohexyltriazine
CID 154164394
3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride
CID 170918642
4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine
CID 112569454
4,6-dichloro-2,5-dicyclopropylpyrimidine
CID 118990185
4,6-dichloro-5-cyclopentyl-2-(1-methoxycyclohexyl)pyrimidine
CID 116746440
4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine
CID 115926474
4,6-dichloro-2-(1-chloroethyl)-5-propylpyrimidine
CID 80664816
4-chloro-2-(1-chloroethyl)-5-fluoro-6-methylpyrimidine
CID 80663151

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine (CID 112569410) is 4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine is CC(Cl)c1nc(Cl)c(C2CCCC2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine?
The InChIKey is FHVCIRZOOKFMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2/c1-6(12)11-15-9(13)8(10(14)16-11)7-4-2-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of 4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine?
4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine has a molecular weight of 279.60 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine is sourced from PubChem (CID 112569410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).