4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine

C17H21ClN2O — CID 80973408

IUPAC4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
SMILESCc1cc(C)c(C)c(Oc2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C17H21ClN2O/c1-9(2)16-19-15(18)13(6)17(20-16)21-14-8-10(3)7-11(4)12(14)5/h7-9H,1-6H3
InChIKeyHOYOVYFTOZTMPA-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.28
Rot. Bonds3

About 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine

4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine (PubChem CID 80973408) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
PubChem CID80973408
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
SMILESCc1cc(C)c(C)c(Oc2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C17H21ClN2O/c1-9(2)16-19-15(18)13(6)17(20-16)21-14-8-10(3)7-11(4)12(14)5/h7-9H,1-6H3
InChIKeyHOYOVYFTOZTMPA-UHFFFAOYSA-N
XLogP5.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
CID 59184665
4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80973136
4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80973916
4-chloro-5-methyl-6-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidine
CID 80973295
3-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80972858
3,5-dichloro-N-methyl-6-(2,3,5-trimethylphenoxy)pyridin-2-amine
CID 102760749
4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 62869809
5-chloro-6-(2,3,5-trimethylphenoxy)pyridin-3-amine
CID 114046382
6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80990394
4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80974281
N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874958
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-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine (CID 80973408) is 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine is Cc1cc(C)c(C)c(Oc2nc(C(C)C)nc(Cl)c2C)c1.
What is the InChIKey of 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine?
The InChIKey is HOYOVYFTOZTMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-9(2)16-19-15(18)13(6)17(20-16)21-14-8-10(3)7-11(4)12(14)5/h7-9H,1-6H3.
What are the key properties of 4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine?
4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine has a molecular weight of 304.82 g/mol, XLogP of 5.28, 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-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine is sourced from PubChem (CID 80973408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).