5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine

C14H23BrN4 — CID 66298476

IUPAC5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(N2CCCCC2)nc(CC)c1Br
InChIInChI=1S/C14H23BrN4/c1-3-8-16-13-12(15)11(4-2)17-14(18-13)19-9-6-5-7-10-19/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyVSSJCZFVSSGJJF-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.61
Rot. Bonds5

About 5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine

5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine (PubChem CID 66298476) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine
PubChem CID66298476
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(N2CCCCC2)nc(CC)c1Br
InChIInChI=1S/C14H23BrN4/c1-3-8-16-13-12(15)11(4-2)17-14(18-13)19-9-6-5-7-10-19/h3-10H2,1-2H3,(H,16,17,18)
InChIKeyVSSJCZFVSSGJJF-UHFFFAOYSA-N
XLogP3.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-ethyl-2-piperidin-1-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-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66298260
2-(azepan-1-yl)-5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298547
2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine
CID 66307142
6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66299616
2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299085
(6-ethyl-5-methyl-2-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 63561219
2-(4,6-diethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylethanamine
CID 79219149
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589
5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
CID 79961331
1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795315
5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 66300830
5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66299847

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine (CID 66298476) is 5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine is CCCNc1nc(N2CCCCC2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine?
The InChIKey is VSSJCZFVSSGJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-3-8-16-13-12(15)11(4-2)17-14(18-13)19-9-6-5-7-10-19/h3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine?
5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine has a molecular weight of 327.27 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66298476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).