5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine

C12H20BrN3O — CID 106815293

IUPAC5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine
SMILESCCOCCc1nc(N)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C12H20BrN3O/c1-5-17-7-6-8-15-10(12(2,3)4)9(13)11(14)16-8/h5-7H2,1-4H3,(H2,14,15,16)
InChIKeyUNFYSZCFIMSPHU-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.70
Rot. Bonds4

About 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine

5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine (PubChem CID 106815293) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine
PubChem CID106815293
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine
SMILESCCOCCc1nc(N)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C12H20BrN3O/c1-5-17-7-6-8-15-10(12(2,3)4)9(13)11(14)16-8/h5-7H2,1-4H3,(H2,14,15,16)
InChIKeyUNFYSZCFIMSPHU-UHFFFAOYSA-N
XLogP2.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine
CID 66307395
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine
CID 106815295
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815296
5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine
CID 79088166
5-bromo-6-tert-butyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66305009
6-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-5-iodopyrimidin-4-amine
CID 103150403
2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 106815258
5-bromo-4-chloro-2-(2-ethoxyethyl)-6-ethylpyrimidine
CID 106815014
5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine
CID 66307013
[2-(2-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 106815543
5-bromo-6-tert-butyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987845
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine (CID 106815293) is 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine is CCOCCc1nc(N)c(Br)c(C(C)(C)C)n1.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine?
The InChIKey is UNFYSZCFIMSPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-5-17-7-6-8-15-10(12(2,3)4)9(13)11(14)16-8/h5-7H2,1-4H3,(H2,14,15,16).
What are the key properties of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine has a molecular weight of 302.22 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 106815293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).