4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine

C14H15ClN2O3 — CID 82169602

IUPAC4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
SMILESCCOc1cc(Cl)nc(COc2ccccc2OC)n1
InChIInChI=1S/C14H15ClN2O3/c1-3-19-14-8-12(15)16-13(17-14)9-20-11-7-5-4-6-10(11)18-2/h4-8H,3,9H2,1-2H3
InChIKeySLTULNXYFLVMKR-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.12
Rot. Bonds6

About 4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine

4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine (PubChem CID 82169602) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
PubChem CID82169602
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
SMILESCCOc1cc(Cl)nc(COc2ccccc2OC)n1
InChIInChI=1S/C14H15ClN2O3/c1-3-19-14-8-12(15)16-13(17-14)9-20-11-7-5-4-6-10(11)18-2/h4-8H,3,9H2,1-2H3
InChIKeySLTULNXYFLVMKR-UHFFFAOYSA-N
XLogP3.12
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
CID 82169576
4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine
CID 82169635
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82168643
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
CID 82169554
4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine
CID 82169566
3,6-dichloro-2-[(2-ethoxyphenoxy)methyl]pyridine
CID 55127453
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 83140307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine?
The IUPAC name of 4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine (CID 82169602) is 4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine?
The canonical SMILES for 4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine is CCOc1cc(Cl)nc(COc2ccccc2OC)n1.
What is the InChIKey of 4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine?
The InChIKey is SLTULNXYFLVMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-19-14-8-12(15)16-13(17-14)9-20-11-7-5-4-6-10(11)18-2/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine?
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine has a molecular weight of 294.74 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine is sourced from PubChem (CID 82169602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).