5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine

C15H16BrClN2O — CID 66293580

IUPAC5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c(Br)c(C(C)(C)C)n2)c1
InChIInChI=1S/C15H16BrClN2O/c1-15(2,3)12-11(16)13(17)19-14(18-12)9-6-5-7-10(8-9)20-4/h5-8H,1-4H3
InChIKeyQTHAJMLUFCJPEW-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.87
Rot. Bonds2

About 5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine

5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine (PubChem CID 66293580) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
PubChem CID66293580
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c(Br)c(C(C)(C)C)n2)c1
InChIInChI=1S/C15H16BrClN2O/c1-15(2,3)12-11(16)13(17)19-14(18-12)9-6-5-7-10(8-9)20-4/h5-8H,1-4H3
InChIKeyQTHAJMLUFCJPEW-UHFFFAOYSA-N
XLogP4.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-tert-butyl-6-chloro-2-(3-ethoxyphenyl)pyrimidine
CID 66293166
5-bromo-6-tert-butyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66307405
5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine
CID 66293992
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine
CID 66313968
5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine
CID 66295020
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43519226
5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine
CID 66292356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine (CID 66293580) is 5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine is COc1cccc(-c2nc(Cl)c(Br)c(C(C)(C)C)n2)c1.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine?
The InChIKey is QTHAJMLUFCJPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-15(2,3)12-11(16)13(17)19-14(18-12)9-6-5-7-10(8-9)20-4/h5-8H,1-4H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine has a molecular weight of 355.66 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine is sourced from PubChem (CID 66293580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).