5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine

C12H18BrClN2O — CID 116502371

IUPAC5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
SMILESCOCC(C)c1nc(Cl)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C12H18BrClN2O/c1-7(6-17-5)11-15-9(12(2,3)4)8(13)10(14)16-11/h7H,6H2,1-5H3
InChIKeyZXCROBMJSDMROY-UHFFFAOYSA-N
MW321.65 g/mol
LogP3.94
Rot. Bonds3

About 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine

5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine (PubChem CID 116502371) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
PubChem CID116502371
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
SMILESCOCC(C)c1nc(Cl)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C12H18BrClN2O/c1-7(6-17-5)11-15-9(12(2,3)4)8(13)10(14)16-11/h7H,6H2,1-5H3
InChIKeyZXCROBMJSDMROY-UHFFFAOYSA-N
XLogP3.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine
CID 116706460
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025
4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502346
4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)-5-methylpyrimidine
CID 116502357
5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine
CID 66292760
6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116502971
5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine
CID 66295020
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine
CID 66292356
4-chloro-6-ethyl-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502347
5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine
CID 66292156
4-tert-butyl-6-chloro-5-iodo-2-(1-methoxypropyl)pyrimidine
CID 116706468

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine (CID 116502371) is 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine is COCC(C)c1nc(Cl)c(Br)c(C(C)(C)C)n1.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine?
The InChIKey is ZXCROBMJSDMROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O/c1-7(6-17-5)11-15-9(12(2,3)4)8(13)10(14)16-11/h7H,6H2,1-5H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine has a molecular weight of 321.65 g/mol, XLogP of 3.94, 3 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-(1-methoxypropan-2-yl)pyrimidine is sourced from PubChem (CID 116502371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).