4,6-dichloro-2-(2-ethylphenyl)pyrimidine

C12H10Cl2N2 — CID 63612271

IUPAC4,6-dichloro-2-(2-ethylphenyl)pyrimidine
SMILESCCc1ccccc1-c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C12H10Cl2N2/c1-2-8-5-3-4-6-9(8)12-15-10(13)7-11(14)16-12/h3-7H,2H2,1H3
InChIKeyLGJRJLCPRNJGLL-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.01
Rot. Bonds2

About 4,6-dichloro-2-(2-ethylphenyl)pyrimidine

4,6-dichloro-2-(2-ethylphenyl)pyrimidine (PubChem CID 63612271) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-ethylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2-ethylphenyl)pyrimidine
PubChem CID63612271
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name4,6-dichloro-2-(2-ethylphenyl)pyrimidine
SMILESCCc1ccccc1-c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C12H10Cl2N2/c1-2-8-5-3-4-6-9(8)12-15-10(13)7-11(14)16-12/h3-7H,2H2,1H3
InChIKeyLGJRJLCPRNJGLL-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-ethylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(2-ethylphenyl)pyrimidine (CID 63612271) is 4,6-dichloro-2-(2-ethylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2-ethylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2-ethylphenyl)pyrimidine is CCc1ccccc1-c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(2-ethylphenyl)pyrimidine?
The InChIKey is LGJRJLCPRNJGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c1-2-8-5-3-4-6-9(8)12-15-10(13)7-11(14)16-12/h3-7H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-(2-ethylphenyl)pyrimidine?
4,6-dichloro-2-(2-ethylphenyl)pyrimidine has a molecular weight of 253.13 g/mol, XLogP of 4.01, 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-(2-ethylphenyl)pyrimidine is sourced from PubChem (CID 63612271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).