5-chloro-2-(3-methoxyphenoxy)pyrimidine

C11H9ClN2O2 — CID 71402141

IUPAC5-chloro-2-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2ncc(Cl)cn2)c1
InChIInChI=1S/C11H9ClN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h2-7H,1H3
InChIKeyKLENNNPYFLKDLL-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.93
Rot. Bonds3

About 5-chloro-2-(3-methoxyphenoxy)pyrimidine

5-chloro-2-(3-methoxyphenoxy)pyrimidine (PubChem CID 71402141) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-chloro-2-(3-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(3-methoxyphenoxy)pyrimidine
PubChem CID71402141
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-chloro-2-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2ncc(Cl)cn2)c1
InChIInChI=1S/C11H9ClN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h2-7H,1H3
InChIKeyKLENNNPYFLKDLL-UHFFFAOYSA-N
XLogP2.93
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine
CID 107086798
[3-(5-chloropyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
CID 103568226
5-chloro-2-(3-methoxyphenoxy)-1,3-thiazole
CID 117260297
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine
CID 168863078
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methoxyphenoxy)pyrimidine?
The IUPAC name of 5-chloro-2-(3-methoxyphenoxy)pyrimidine (CID 71402141) is 5-chloro-2-(3-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 5-chloro-2-(3-methoxyphenoxy)pyrimidine?
The canonical SMILES for 5-chloro-2-(3-methoxyphenoxy)pyrimidine is COc1cccc(Oc2ncc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-2-(3-methoxyphenoxy)pyrimidine?
The InChIKey is KLENNNPYFLKDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h2-7H,1H3.
What are the key properties of 5-chloro-2-(3-methoxyphenoxy)pyrimidine?
5-chloro-2-(3-methoxyphenoxy)pyrimidine has a molecular weight of 236.66 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 71402141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).