5-(chloromethyl)-4-methyl-2-octoxypyrimidine

C14H23ClN2O — CID 83184945

IUPAC5-(chloromethyl)-4-methyl-2-octoxypyrimidine
SMILESCCCCCCCCOc1ncc(CCl)c(C)n1
InChIInChI=1S/C14H23ClN2O/c1-3-4-5-6-7-8-9-18-14-16-11-13(10-15)12(2)17-14/h11H,3-10H2,1-2H3
InChIKeyVXJQULBUUHQESD-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.26
Rot. Bonds9

About 5-(chloromethyl)-4-methyl-2-octoxypyrimidine

5-(chloromethyl)-4-methyl-2-octoxypyrimidine (PubChem CID 83184945) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-octoxypyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-octoxypyrimidine
PubChem CID83184945
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name5-(chloromethyl)-4-methyl-2-octoxypyrimidine
SMILESCCCCCCCCOc1ncc(CCl)c(C)n1
InChIInChI=1S/C14H23ClN2O/c1-3-4-5-6-7-8-9-18-14-16-11-13(10-15)12(2)17-14/h11H,3-10H2,1-2H3
InChIKeyVXJQULBUUHQESD-UHFFFAOYSA-N
XLogP4.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-heptoxy-4-methylpyrimidin-5-yl)methanamine
CID 83188895
N-[(2-heptoxy-4-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 83188821
N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83189667
5-(chloromethyl)-4-methyl-2-(4-propoxyphenoxy)pyrimidine
CID 83184425
5-(chloromethyl)-4-methyl-2-(2-piperidin-1-ylethoxy)pyrimidine
CID 83184339
5-(chloromethyl)-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 83183815
5-(chloromethyl)-2-(4,4-dimethylcyclohexyl)oxy-4-methylpyrimidine
CID 114341774
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
1,2-bis(chloromethyl)-4,5-dioctoxybenzene
CID 139761510
2-octoxypyrimidin-5-amine
CID 61145971
5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
CID 116802687

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-2-octoxypyrimidine?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-octoxypyrimidine (CID 83184945) is 5-(chloromethyl)-4-methyl-2-octoxypyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-octoxypyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-octoxypyrimidine is CCCCCCCCOc1ncc(CCl)c(C)n1.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-octoxypyrimidine?
The InChIKey is VXJQULBUUHQESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-3-4-5-6-7-8-9-18-14-16-11-13(10-15)12(2)17-14/h11H,3-10H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-octoxypyrimidine?
5-(chloromethyl)-4-methyl-2-octoxypyrimidine has a molecular weight of 270.80 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-octoxypyrimidine is sourced from PubChem (CID 83184945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).