4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine

C15H17ClN2O2 — CID 62336755

IUPAC4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine
SMILESCOc1ccc(Oc2ccnc(Cl)n2)c(C(C)(C)C)c1
InChIInChI=1S/C15H17ClN2O2/c1-15(2,3)11-9-10(19-4)5-6-12(11)20-13-7-8-17-14(16)18-13/h5-9H,1-4H3
InChIKeyWDJDNLOVLIDGRW-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.23
Rot. Bonds3

About 4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine

4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine (PubChem CID 62336755) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine.

Molecular Properties

Compound Name4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine
PubChem CID62336755
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine
SMILESCOc1ccc(Oc2ccnc(Cl)n2)c(C(C)(C)C)c1
InChIInChI=1S/C15H17ClN2O2/c1-15(2,3)11-9-10(19-4)5-6-12(11)20-13-7-8-17-14(16)18-13/h5-9H,1-4H3
InChIKeyWDJDNLOVLIDGRW-UHFFFAOYSA-N
XLogP4.23
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine
CID 116797637
[6-(2-tert-butyl-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 62298299
4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine
CID 63446362
4-(4-tert-butylphenoxy)-2-chloropyrimidine
CID 55065851
4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine
CID 80867099
[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 16786203
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
CID 15051117
2-chloro-4-(2-methylphenoxy)pyrimidine
CID 12679948
4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine
CID 63506097
6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80866188
5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine
CID 79530705

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine?
The IUPAC name of 4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine (CID 62336755) is 4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine.
What is the SMILES notation for 4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine?
The canonical SMILES for 4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine is COc1ccc(Oc2ccnc(Cl)n2)c(C(C)(C)C)c1.
What is the InChIKey of 4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine?
The InChIKey is WDJDNLOVLIDGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-15(2,3)11-9-10(19-4)5-6-12(11)20-13-7-8-17-14(16)18-13/h5-9H,1-4H3.
What are the key properties of 4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine?
4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine has a molecular weight of 292.77 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine is sourced from PubChem (CID 62336755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).