4,6-dichloro-5-ethyl-2-phenylpyrimidine

C12H10Cl2N2 — CID 19690713

IUPAC4,6-dichloro-5-ethyl-2-phenylpyrimidine
SMILESCCc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C12H10Cl2N2/c1-2-9-10(13)15-12(16-11(9)14)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyIRDIXCNNPSHTMT-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.01
Rot. Bonds2

About 4,6-dichloro-5-ethyl-2-phenylpyrimidine

4,6-dichloro-5-ethyl-2-phenylpyrimidine (PubChem CID 19690713) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-phenylpyrimidine
PubChem CID19690713
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name4,6-dichloro-5-ethyl-2-phenylpyrimidine
SMILESCCc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C12H10Cl2N2/c1-2-9-10(13)15-12(16-11(9)14)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyIRDIXCNNPSHTMT-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-5-ethyl-2-phenylpyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-phenylpyrimidine (CID 19690713) is 4,6-dichloro-5-ethyl-2-phenylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-phenylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-phenylpyrimidine is CCc1c(Cl)nc(-c2ccccc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-phenylpyrimidine?
The InChIKey is IRDIXCNNPSHTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c1-2-9-10(13)15-12(16-11(9)14)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-phenylpyrimidine?
4,6-dichloro-5-ethyl-2-phenylpyrimidine 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-5-ethyl-2-phenylpyrimidine is sourced from PubChem (CID 19690713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).