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

C18H24BrN3 — CID 10666336

IUPACN-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
SMILESCCCCc1ccc(N(CC)c2nc(C)cc(C)n2)c(Br)c1
InChIInChI=1S/C18H24BrN3/c1-5-7-8-15-9-10-17(16(19)12-15)22(6-2)18-20-13(3)11-14(4)21-18/h9-12H,5-8H2,1-4H3
InChIKeyRNYRYIVVVBXSRR-UHFFFAOYSA-N
MW362.32 g/mol
LogP5.36
Rot. Bonds6

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

N-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine (PubChem CID 10666336) has the molecular formula C18H24BrN3 and a molecular weight of 362.32 g/mol. Its IUPAC name is N-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
PubChem CID10666336
Molecular FormulaC18H24BrN3
Molecular Weight362.32 g/mol
Exact Mass361.12
IUPAC NameN-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
SMILESCCCCc1ccc(N(CC)c2nc(C)cc(C)n2)c(Br)c1
InChIInChI=1S/C18H24BrN3/c1-5-7-8-15-9-10-17(16(19)12-15)22(6-2)18-20-13(3)11-14(4)21-18/h9-12H,5-8H2,1-4H3
InChIKeyRNYRYIVVVBXSRR-UHFFFAOYSA-N
XLogP5.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.32
LogP ≤ 55.36
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-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine (CID 10666336) is N-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine is CCCCc1ccc(N(CC)c2nc(C)cc(C)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The InChIKey is RNYRYIVVVBXSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3/c1-5-7-8-15-9-10-17(16(19)12-15)22(6-2)18-20-13(3)11-14(4)21-18/h9-12H,5-8H2,1-4H3.
What are the key properties of N-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
N-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine has a molecular weight of 362.32 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-butylphenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 10666336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).