4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine

C13H19ClN2O — CID 80663192

IUPAC4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine
SMILESCc1cc(Cl)nc(COC2CCC(C)CC2)n1
InChIInChI=1S/C13H19ClN2O/c1-9-3-5-11(6-4-9)17-8-13-15-10(2)7-12(14)16-13/h7,9,11H,3-6,8H2,1-2H3
InChIKeyMLCSYKVLYBUBFI-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.53
Rot. Bonds3

About 4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine

4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine (PubChem CID 80663192) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine
PubChem CID80663192
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine
SMILESCc1cc(Cl)nc(COC2CCC(C)CC2)n1
InChIInChI=1S/C13H19ClN2O/c1-9-3-5-11(6-4-9)17-8-13-15-10(2)7-12(14)16-13/h7,9,11H,3-6,8H2,1-2H3
InChIKeyMLCSYKVLYBUBFI-UHFFFAOYSA-N
XLogP3.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine (CID 80663192) is 4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine is Cc1cc(Cl)nc(COC2CCC(C)CC2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine?
The InChIKey is MLCSYKVLYBUBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-3-5-11(6-4-9)17-8-13-15-10(2)7-12(14)16-13/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine?
4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine is sourced from PubChem (CID 80663192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).