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

C15H16BrClN2O — CID 66292156

IUPAC5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine
SMILESCC(C)(C)c1nc(COc2ccccc2)nc(Cl)c1Br
InChIInChI=1S/C15H16BrClN2O/c1-15(2,3)13-12(16)14(17)19-11(18-13)9-20-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyWTZZBSWJKRYLBK-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.77
Rot. Bonds3

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

5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine (PubChem CID 66292156) 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-(phenoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine
PubChem CID66292156
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine
SMILESCC(C)(C)c1nc(COc2ccccc2)nc(Cl)c1Br
InChIInChI=1S/C15H16BrClN2O/c1-15(2,3)13-12(16)14(17)19-11(18-13)9-20-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyWTZZBSWJKRYLBK-UHFFFAOYSA-N
XLogP4.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-5-iodo-N-methyl-2-(phenoxymethyl)pyrimidin-4-amine
CID 66305233
5-bromo-4-tert-butyl-6-chloro-2-(3-ethoxyphenyl)pyrimidine
CID 66293166
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
CID 43329294
5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine
CID 66292356
5-bromo-4-tert-butyl-6-chloro-2-pyridin-3-ylpyrimidine
CID 66292564
5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine
CID 66303546
4-(chloromethyl)-6-methyl-2-(phenoxymethyl)pyrimidine
CID 62745019
6-chloro-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
CID 82168815
5-bromo-4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
CID 116502371
5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine
CID 66295020
5-bromo-4-tert-butyl-6-chloro-2-(oxolan-3-ylmethyl)pyrimidine
CID 103986049

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine (CID 66292156) is 5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine is CC(C)(C)c1nc(COc2ccccc2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine?
The InChIKey is WTZZBSWJKRYLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-15(2,3)13-12(16)14(17)19-11(18-13)9-20-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-(phenoxymethyl)pyrimidine has a molecular weight of 355.66 g/mol, XLogP of 4.77, 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-(phenoxymethyl)pyrimidine is sourced from PubChem (CID 66292156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).