5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine

C14H22BrClN2O — CID 116706460

IUPAC5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine
SMILESCOC(c1nc(Cl)c(Br)c(C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C14H22BrClN2O/c1-13(2,3)9-8(15)11(16)18-12(17-9)10(19-7)14(4,5)6/h10H,1-7H3
InChIKeyMTWVNNLKIXOJOK-UHFFFAOYSA-N
MW349.70 g/mol
LogP4.92
Rot. Bonds2

About 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine

5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine (PubChem CID 116706460) has the molecular formula C14H22BrClN2O and a molecular weight of 349.70 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine
PubChem CID116706460
Molecular FormulaC14H22BrClN2O
Molecular Weight349.70 g/mol
Exact Mass348.06
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine
SMILESCOC(c1nc(Cl)c(Br)c(C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C14H22BrClN2O/c1-13(2,3)9-8(15)11(16)18-12(17-9)10(19-7)14(4,5)6/h10H,1-7H3
InChIKeyMTWVNNLKIXOJOK-UHFFFAOYSA-N
XLogP4.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502371
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 116706710
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-5-methyl-6-phenylpyrimidine
CID 116706757
4-tert-butyl-6-chloro-5-iodo-2-(1-methoxypropyl)pyrimidine
CID 116706468
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
5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine
CID 66292760
5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine
CID 66293175
5-bromo-N-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 116729723
5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729574
4-chloro-2-(1-methoxy-2,2-dimethylpropyl)-6-propylpyrimidine
CID 116706142

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine (CID 116706460) is 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine is COC(c1nc(Cl)c(Br)c(C(C)(C)C)n1)C(C)(C)C.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine?
The InChIKey is MTWVNNLKIXOJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrClN2O/c1-13(2,3)9-8(15)11(16)18-12(17-9)10(19-7)14(4,5)6/h10H,1-7H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-(1-methoxy-2,2-dimethylpropyl)pyrimidine has a molecular weight of 349.70 g/mol, XLogP of 4.92, 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-(1-methoxy-2,2-dimethylpropyl)pyrimidine is sourced from PubChem (CID 116706460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).