4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine

C13H13ClN2O2 — CID 63986769

IUPAC4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine
SMILESCOCc1cccc(Oc2cc(Cl)nc(C)n2)c1
InChIInChI=1S/C13H13ClN2O2/c1-9-15-12(14)7-13(16-9)18-11-5-3-4-10(6-11)8-17-2/h3-7H,8H2,1-2H3
InChIKeyJPEDQSHWMVNRPP-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.38
Rot. Bonds4

About 4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine

4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine (PubChem CID 63986769) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine
PubChem CID63986769
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine
SMILESCOCc1cccc(Oc2cc(Cl)nc(C)n2)c1
InChIInChI=1S/C13H13ClN2O2/c1-9-15-12(14)7-13(16-9)18-11-5-3-4-10(6-11)8-17-2/h3-7H,8H2,1-2H3
InChIKeyJPEDQSHWMVNRPP-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[3-(methoxymethyl)phenoxy]pyrazine
CID 63985764
3-(6-chloro-2-methylpyrimidin-4-yl)oxybenzaldehyde
CID 52875059
2-[3-(methoxymethyl)phenoxy]-5-methylpyridine
CID 123576631
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
6-[3-(methoxymethyl)phenoxy]-N-methylpyridin-2-amine
CID 80876349
2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine
CID 80941964
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid
CID 114916937
2-[3-(methoxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 114769347
[6-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63986464
2-cyclopropyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80965780
6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
CID 64593563

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine (CID 63986769) is 4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine is COCc1cccc(Oc2cc(Cl)nc(C)n2)c1.
What is the InChIKey of 4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine?
The InChIKey is JPEDQSHWMVNRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-15-12(14)7-13(16-9)18-11-5-3-4-10(6-11)8-17-2/h3-7H,8H2,1-2H3.
What are the key properties of 4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine?
4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine has a molecular weight of 264.71 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(methoxymethyl)phenoxy]-2-methylpyrimidine is sourced from PubChem (CID 63986769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).