4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine

C16H24Cl2N2O — CID 116745994

IUPAC4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(C2(OCC)CCC(C)CC2)nc1Cl
InChIInChI=1S/C16H24Cl2N2O/c1-4-6-12-13(17)19-15(20-14(12)18)16(21-5-2)9-7-11(3)8-10-16/h11H,4-10H2,1-3H3
InChIKeyMZNBRAOPQCZJPS-UHFFFAOYSA-N
MW331.29 g/mol
LogP5.18
Rot. Bonds5

About 4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine

4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine (PubChem CID 116745994) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
PubChem CID116745994
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(C2(OCC)CCC(C)CC2)nc1Cl
InChIInChI=1S/C16H24Cl2N2O/c1-4-6-12-13(17)19-15(20-14(12)18)16(21-5-2)9-7-11(3)8-10-16/h11H,4-10H2,1-3H3
InChIKeyMZNBRAOPQCZJPS-UHFFFAOYSA-N
XLogP5.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.29
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine (CID 116745994) is 4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine is CCCc1c(Cl)nc(C2(OCC)CCC(C)CC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine?
The InChIKey is MZNBRAOPQCZJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O/c1-4-6-12-13(17)19-15(20-14(12)18)16(21-5-2)9-7-11(3)8-10-16/h11H,4-10H2,1-3H3.
What are the key properties of 4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine?
4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine has a molecular weight of 331.29 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine is sourced from PubChem (CID 116745994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).