4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine

C16H16Cl2N2O — CID 104816928

IUPAC4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine
SMILESCOc1cccc(Cl)c1-c1nc(Cl)cc(C2CCCC2)n1
InChIInChI=1S/C16H16Cl2N2O/c1-21-13-8-4-7-11(17)15(13)16-19-12(9-14(18)20-16)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3
InChIKeySBZCNDGUDIDMLE-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.12
Rot. Bonds3

About 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine

4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine (PubChem CID 104816928) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine
PubChem CID104816928
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine
SMILESCOc1cccc(Cl)c1-c1nc(Cl)cc(C2CCCC2)n1
InChIInChI=1S/C16H16Cl2N2O/c1-21-13-8-4-7-11(17)15(13)16-19-12(9-14(18)20-16)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3
InChIKeySBZCNDGUDIDMLE-UHFFFAOYSA-N
XLogP5.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine?
The IUPAC name of 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine (CID 104816928) is 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine is COc1cccc(Cl)c1-c1nc(Cl)cc(C2CCCC2)n1.
What is the InChIKey of 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine?
The InChIKey is SBZCNDGUDIDMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-21-13-8-4-7-11(17)15(13)16-19-12(9-14(18)20-16)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine?
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine has a molecular weight of 323.22 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine is sourced from PubChem (CID 104816928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).