5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine

C14H24BrN3 — CID 66299335

IUPAC5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)CC)nc(C(C)C)c1Br
InChIInChI=1S/C14H24BrN3/c1-6-8-16-14-11(15)12(9(3)4)17-13(18-14)10(5)7-2/h9-10H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyIMWASHLYGUEFMZ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.70
Rot. Bonds6

About 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine

5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66299335) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66299335
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)CC)nc(C(C)C)c1Br
InChIInChI=1S/C14H24BrN3/c1-6-8-16-14-11(15)12(9(3)4)17-13(18-14)10(5)7-2/h9-10H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyIMWASHLYGUEFMZ-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
CID 66292295
5-bromo-2-(methylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299727
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922
2-butan-2-yl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62315264
2-(azepan-1-yl)-5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298547
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300318
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025
5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298546
5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116503066
5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297944
5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66299335) is 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)CC)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is IMWASHLYGUEFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-6-8-16-14-11(15)12(9(3)4)17-13(18-14)10(5)7-2/h9-10H,6-8H2,1-5H3,(H,16,17,18).
What are the key properties of 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 314.27 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66299335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).