4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine

C13H13ClN2O2 — CID 15561345

IUPAC4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
SMILESCOc1ccccc1OCc1nc(C)cc(Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-9-7-12(14)16-13(15-9)8-18-11-6-4-3-5-10(11)17-2/h3-7H,8H2,1-2H3
InChIKeyNKLFSYLJSNTGQH-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.03
Rot. Bonds4

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

4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine (PubChem CID 15561345) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
PubChem CID15561345
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
SMILESCOc1ccccc1OCc1nc(C)cc(Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-9-7-12(14)16-13(15-9)8-18-11-6-4-3-5-10(11)17-2/h3-7H,8H2,1-2H3
InChIKeyNKLFSYLJSNTGQH-UHFFFAOYSA-N
XLogP3.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 83140307
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647
2-[(4-tert-butyl-2-methylphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 80656918
4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 114672189
4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine
CID 82169635
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
CID 80664031
5-chloro-2-[(2-methoxyphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82168643

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine (CID 15561345) is 4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine is COc1ccccc1OCc1nc(C)cc(Cl)n1.
What is the InChIKey of 4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine?
The InChIKey is NKLFSYLJSNTGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-7-12(14)16-13(15-9)8-18-11-6-4-3-5-10(11)17-2/h3-7H,8H2,1-2H3.
What are the key properties of 4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine?
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine has a molecular weight of 264.71 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine is sourced from PubChem (CID 15561345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).