N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine

C18H24BrN3 — CID 10498852

IUPACN-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C18H24BrN3/c1-7-22(17-20-12(2)10-13(3)21-17)16-9-8-14(11-15(16)19)18(4,5)6/h8-11H,7H2,1-6H3
InChIKeyBXGUUWNBLCCDDR-UHFFFAOYSA-N
MW362.32 g/mol
LogP5.31
Rot. Bonds3

About N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine

N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine (PubChem CID 10498852) has the molecular formula C18H24BrN3 and a molecular weight of 362.32 g/mol. Its IUPAC name is N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
PubChem CID10498852
Molecular FormulaC18H24BrN3
Molecular Weight362.32 g/mol
Exact Mass361.12
IUPAC NameN-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C18H24BrN3/c1-7-22(17-20-12(2)10-13(3)21-17)16-9-8-14(11-15(16)19)18(4,5)6/h8-11H,7H2,1-6H3
InChIKeyBXGUUWNBLCCDDR-UHFFFAOYSA-N
XLogP5.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.32
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine (CID 10498852) is N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine is CCN(c1nc(C)cc(C)n1)c1ccc(C(C)(C)C)cc1Br.
What is the InChIKey of N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The InChIKey is BXGUUWNBLCCDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3/c1-7-22(17-20-12(2)10-13(3)21-17)16-9-8-14(11-15(16)19)18(4,5)6/h8-11H,7H2,1-6H3.
What are the key properties of N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine has a molecular weight of 362.32 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-tert-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 10498852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).