4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine

C14H21ClN2O — CID 80664034

IUPAC4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(COC2CCC(C)C(C)C2)n1
InChIInChI=1S/C14H21ClN2O/c1-9-4-5-12(6-10(9)2)18-8-14-16-11(3)7-13(15)17-14/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyACEQKYNLWIKTHB-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine

4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine (PubChem CID 80664034) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine
PubChem CID80664034
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(COC2CCC(C)C(C)C2)n1
InChIInChI=1S/C14H21ClN2O/c1-9-4-5-12(6-10(9)2)18-8-14-16-11(3)7-13(15)17-14/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyACEQKYNLWIKTHB-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine (CID 80664034) is 4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine is Cc1cc(Cl)nc(COC2CCC(C)C(C)C2)n1.
What is the InChIKey of 4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine?
The InChIKey is ACEQKYNLWIKTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9-4-5-12(6-10(9)2)18-8-14-16-11(3)7-13(15)17-14/h7,9-10,12H,4-6,8H2,1-3H3.
What are the key properties of 4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine?
4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine has a molecular weight of 268.79 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine is sourced from PubChem (CID 80664034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).