5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine

C12H19BrClN3 — CID 66292760

IUPAC5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine
SMILESCCN(CC)c1nc(Cl)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C12H19BrClN3/c1-6-17(7-2)11-15-9(12(3,4)5)8(13)10(14)16-11/h6-7H2,1-5H3
InChIKeyVCCBGEBSAACMBE-UHFFFAOYSA-N
MW320.66 g/mol
LogP4.04
Rot. Bonds3

About 5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine

5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine (PubChem CID 66292760) has the molecular formula C12H19BrClN3 and a molecular weight of 320.66 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine
PubChem CID66292760
Molecular FormulaC12H19BrClN3
Molecular Weight320.66 g/mol
Exact Mass319.05
IUPAC Name5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine
SMILESCCN(CC)c1nc(Cl)c(Br)c(C(C)(C)C)n1
InChIInChI=1S/C12H19BrClN3/c1-6-17(7-2)11-15-9(12(3,4)5)8(13)10(14)16-11/h6-7H2,1-5H3
InChIKeyVCCBGEBSAACMBE-UHFFFAOYSA-N
XLogP4.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine (CID 66292760) is 5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine is CCN(CC)c1nc(Cl)c(Br)c(C(C)(C)C)n1.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine?
The InChIKey is VCCBGEBSAACMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrClN3/c1-6-17(7-2)11-15-9(12(3,4)5)8(13)10(14)16-11/h6-7H2,1-5H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine?
5-bromo-4-tert-butyl-6-chloro-N,N-diethylpyrimidin-2-amine has a molecular weight of 320.66 g/mol, XLogP of 4.04, 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-N,N-diethylpyrimidin-2-amine is sourced from PubChem (CID 66292760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).