4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine

C17H19ClN2 — CID 63404866

IUPAC4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
SMILESCC1CCC(c2nc(Cl)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H19ClN2/c1-12-7-9-14(10-8-12)17-19-15(11-16(18)20-17)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3
InChIKeyCZLVWEVZXOMYCP-UHFFFAOYSA-N
MW286.81 g/mol
LogP5.09
Rot. Bonds2

About 4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine

4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine (PubChem CID 63404866) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
PubChem CID63404866
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
SMILESCC1CCC(c2nc(Cl)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H19ClN2/c1-12-7-9-14(10-8-12)17-19-15(11-16(18)20-17)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3
InChIKeyCZLVWEVZXOMYCP-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.81
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine (CID 63404866) is 4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine is CC1CCC(c2nc(Cl)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine?
The InChIKey is CZLVWEVZXOMYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-12-7-9-14(10-8-12)17-19-15(11-16(18)20-17)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3.
What are the key properties of 4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine?
4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine has a molecular weight of 286.81 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine is sourced from PubChem (CID 63404866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).