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

C15H17ClN2O — CID 80973136

IUPAC4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
SMILESCc1cccc(Oc2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)14-17-13(16)11(4)15(18-14)19-12-7-5-6-10(3)8-12/h5-9H,1-4H3
InChIKeyJNXNQPGFNIIXLZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.66
Rot. Bonds3

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

4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine (PubChem CID 80973136) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
PubChem CID80973136
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
SMILESCc1cccc(Oc2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)14-17-13(16)11(4)15(18-14)19-12-7-5-6-10(3)8-12/h5-9H,1-4H3
InChIKeyJNXNQPGFNIIXLZ-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80973916
3-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80972858
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-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
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-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80972238
6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990919
4-chloro-2-ethyl-6-(3-methoxyphenoxy)-5-methylpyrimidine
CID 80974213
6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988642

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine (CID 80973136) is 4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine is Cc1cccc(Oc2nc(C(C)C)nc(Cl)c2C)c1.
What is the InChIKey of 4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine?
The InChIKey is JNXNQPGFNIIXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(2)14-17-13(16)11(4)15(18-14)19-12-7-5-6-10(3)8-12/h5-9H,1-4H3.
What are the key properties of 4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine?
4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80973136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).