5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine

C15H26BrN3 — CID 66305031

IUPAC5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H26BrN3/c1-8-9-17-12-10(16)11(14(2,3)4)18-13(19-12)15(5,6)7/h8-9H2,1-7H3,(H,17,18,19)
InChIKeyKVGJZXGMOYSFFI-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.66
Rot. Bonds3

About 5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine

5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine (PubChem CID 66305031) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine
PubChem CID66305031
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H26BrN3/c1-8-9-17-12-10(16)11(14(2,3)4)18-13(19-12)15(5,6)7/h8-9H2,1-7H3,(H,17,18,19)
InChIKeyKVGJZXGMOYSFFI-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2,6-ditert-butyl-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-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 66307012
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025
5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66305830
methyl 5-bromo-4-tert-butyl-6-(propylamino)pyrimidine-2-carboxylate
CID 66305837
5-bromo-6-tert-butyl-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66305428
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815296
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine
CID 66305829
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80977294

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine (CID 66305031) is 5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)(C)C)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine?
The InChIKey is KVGJZXGMOYSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-8-9-17-12-10(16)11(14(2,3)4)18-13(19-12)15(5,6)7/h8-9H2,1-7H3,(H,17,18,19).
What are the key properties of 5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine?
5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine has a molecular weight of 328.30 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66305031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).