4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine

C15H17ClN2O2 — CID 80973916

IUPAC4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
SMILESCOc1cccc(Oc2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)14-17-13(16)10(3)15(18-14)20-12-7-5-6-11(8-12)19-4/h5-9H,1-4H3
InChIKeyKJJKMUXJPXLRNN-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.36
Rot. Bonds4

About 4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 80973916) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID80973916
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
SMILESCOc1cccc(Oc2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)14-17-13(16)10(3)15(18-14)20-12-7-5-6-11(8-12)19-4/h5-9H,1-4H3
InChIKeyKJJKMUXJPXLRNN-UHFFFAOYSA-N
XLogP4.36
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80973136
3-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80972858
4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
CID 80974213
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80972238
4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine
CID 80973295
4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
CID 80973408
4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970109
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989119
3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxybenzonitrile
CID 80988952
6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990919

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine (CID 80973916) is 4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine is COc1cccc(Oc2nc(C(C)C)nc(Cl)c2C)c1.
What is the InChIKey of 4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is KJJKMUXJPXLRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9(2)14-17-13(16)10(3)15(18-14)20-12-7-5-6-11(8-12)19-4/h5-9H,1-4H3.
What are the key properties of 4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 292.77 g/mol, XLogP of 4.36, 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-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80973916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).