4-chloro-5-ethyl-6-phenylmethoxypyrimidine

C13H13ClN2O — CID 55230236

IUPAC4-chloro-5-ethyl-6-phenylmethoxypyrimidine
SMILESCCc1c(Cl)ncnc1OCc1ccccc1
InChIInChI=1S/C13H13ClN2O/c1-2-11-12(14)15-9-16-13(11)17-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyQVEYOLAAIAFANH-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.27
Rot. Bonds4

About 4-chloro-5-ethyl-6-phenylmethoxypyrimidine

4-chloro-5-ethyl-6-phenylmethoxypyrimidine (PubChem CID 55230236) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-phenylmethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-phenylmethoxypyrimidine
PubChem CID55230236
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-5-ethyl-6-phenylmethoxypyrimidine
SMILESCCc1c(Cl)ncnc1OCc1ccccc1
InChIInChI=1S/C13H13ClN2O/c1-2-11-12(14)15-9-16-13(11)17-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyQVEYOLAAIAFANH-UHFFFAOYSA-N
XLogP3.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015
4-chloro-5-ethyl-2,6-bis(phenylmethoxy)pyrimidine
CID 59686866
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine
CID 63736584
4-chloro-5-ethyl-6-pentoxypyrimidine
CID 63735031
4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine
CID 63735543
6-chloro-5-ethyl-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
CID 159161134
6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80876248
[6-[(4-chlorophenyl)methoxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80922291
N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
CID 112587576

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-phenylmethoxypyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-phenylmethoxypyrimidine (CID 55230236) is 4-chloro-5-ethyl-6-phenylmethoxypyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-phenylmethoxypyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-phenylmethoxypyrimidine is CCc1c(Cl)ncnc1OCc1ccccc1.
What is the InChIKey of 4-chloro-5-ethyl-6-phenylmethoxypyrimidine?
The InChIKey is QVEYOLAAIAFANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-2-11-12(14)15-9-16-13(11)17-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3.
What are the key properties of 4-chloro-5-ethyl-6-phenylmethoxypyrimidine?
4-chloro-5-ethyl-6-phenylmethoxypyrimidine has a molecular weight of 248.71 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-phenylmethoxypyrimidine is sourced from PubChem (CID 55230236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).