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

C16H16Cl2N2 — CID 65429518

IUPAC4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine
SMILESClc1nc(C2CCCCC2)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C16H16Cl2N2/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyQHDOUROPUFABAR-UHFFFAOYSA-N
MW307.22 g/mol
LogP5.50
Rot. Bonds2

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

4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine (PubChem CID 65429518) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine
PubChem CID65429518
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine
SMILESClc1nc(C2CCCCC2)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C16H16Cl2N2/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyQHDOUROPUFABAR-UHFFFAOYSA-N
XLogP5.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.22
LogP ≤ 55.50
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-cyclohexyl-5-phenylpyrimidine?
The IUPAC name of 4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine (CID 65429518) is 4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine is Clc1nc(C2CCCCC2)nc(Cl)c1-c1ccccc1.
What is the InChIKey of 4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine?
The InChIKey is QHDOUROPUFABAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of 4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine?
4,6-dichloro-2-cyclohexyl-5-phenylpyrimidine has a molecular weight of 307.22 g/mol, XLogP of 5.50, 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-cyclohexyl-5-phenylpyrimidine is sourced from PubChem (CID 65429518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).