4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine

C14H20Cl2N2O — CID 116745974

IUPAC4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(C(OC)C2CCCCC2)nc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-10-12(15)17-14(18-13(10)16)11(19-2)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3
InChIKeyKRAFERNCVBRPHJ-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.61
Rot. Bonds4

About 4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine

4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine (PubChem CID 116745974) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
PubChem CID116745974
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(C(OC)C2CCCCC2)nc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-10-12(15)17-14(18-13(10)16)11(19-2)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3
InChIKeyKRAFERNCVBRPHJ-UHFFFAOYSA-N
XLogP4.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.61
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-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine (CID 116745974) is 4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine is CCc1c(Cl)nc(C(OC)C2CCCCC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine?
The InChIKey is KRAFERNCVBRPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-10-12(15)17-14(18-13(10)16)11(19-2)9-7-5-4-6-8-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine?
4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine has a molecular weight of 303.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine is sourced from PubChem (CID 116745974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).