4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine

C18H15ClN2O2 — CID 1472566

IUPAC4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1C
InChIInChI=1S/C18H15ClN2O2/c1-12-10-14(19)8-9-15(12)23-18-16(22-2)11-20-17(21-18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyZJGBXIUOGSVXEJ-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.91
Rot. Bonds4

About 4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine

4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine (PubChem CID 1472566) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine
PubChem CID1472566
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine
SMILESCOc1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1C
InChIInChI=1S/C18H15ClN2O2/c1-12-10-14(19)8-9-15(12)23-18-16(22-2)11-20-17(21-18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyZJGBXIUOGSVXEJ-UHFFFAOYSA-N
XLogP4.91
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Chloro-4-piperidin-1-ylpyrimido[4,5-b][1,4]benzoxazepine
CID 659539
2-(4-Chloro-2-methylphenoxy)-5-(4-chlorophenyl)pyrimidine
CID 1472468
5-Methoxy-4-(2-methylphenoxy)-2-phenylpyrimidine
CID 1472564
5-Methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine
CID 1472565
4-Chloro-1-naphthyl 5-methoxy-2-(2-pyridinyl)-4-pyrimidinyl ether
CID 1474148
4-(4-Chlorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 3847340
4-Chloro-5-phenoxy-2-phenylpyrimidine
CID 824762
4-Ethoxy-5-phenoxy-2-phenylpyrimidine
CID 824783
2-[6-Amino-2-(3-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704951
N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine
CID 947522
4-(2,3-Dimethylphenoxy)-5-methoxy-2-phenylpyrimidine
CID 1472558
4-(4-Tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine
CID 1472559

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine (CID 1472566) is 4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine is COc1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1C.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine?
The InChIKey is ZJGBXIUOGSVXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-10-14(19)8-9-15(12)23-18-16(22-2)11-20-17(21-18)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine?
4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine has a molecular weight of 326.78 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine is sourced from PubChem (CID 1472566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).