2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine

C14H15ClN2O — CID 62338137

IUPAC2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
SMILESCc1ccc(C(C)C)cc1Oc1ccnc(Cl)n1
InChIInChI=1S/C14H15ClN2O/c1-9(2)11-5-4-10(3)12(8-11)18-13-6-7-16-14(15)17-13/h4-9H,1-3H3
InChIKeyRYMXVEFAYCFGQW-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.35
Rot. Bonds3

About 2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine

2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine (PubChem CID 62338137) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
PubChem CID62338137
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
SMILESCc1ccc(C(C)C)cc1Oc1ccnc(Cl)n1
InChIInChI=1S/C14H15ClN2O/c1-9(2)11-5-4-10(3)12(8-11)18-13-6-7-16-14(15)17-13/h4-9H,1-3H3
InChIKeyRYMXVEFAYCFGQW-UHFFFAOYSA-N
XLogP4.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 147253984
2-chloro-4-(2-methylphenoxy)pyrimidine
CID 12679948
2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine
CID 102749594
[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 107542628
5-bromo-4-(2-chloropyrimidin-4-yl)oxy-2-methylaniline
CID 155095425
3,5-dichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-2-amine
CID 102760807
4-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 113305641
2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545835
2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine
CID 104786973
6-chloro-2-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 115474511
N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62323489
5-chloro-N-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874319

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine (CID 62338137) is 2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine is Cc1ccc(C(C)C)cc1Oc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
The InChIKey is RYMXVEFAYCFGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9(2)11-5-4-10(3)12(8-11)18-13-6-7-16-14(15)17-13/h4-9H,1-3H3.
What are the key properties of 2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine?
2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine has a molecular weight of 262.74 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 62338137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).