4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine

C14H23BrN4 — CID 80764338

IUPAC4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCCCCCC2)n1
InChIInChI=1S/C14H23BrN4/c1-2-8-16-14-17-11-12(15)13(18-14)19-9-6-4-3-5-7-10-19/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyKADUUFGXQPEBPJ-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.83
Rot. Bonds4

About 4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine

4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine (PubChem CID 80764338) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
PubChem CID80764338
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCCCCCC2)n1
InChIInChI=1S/C14H23BrN4/c1-2-8-16-14-17-11-12(15)13(18-14)19-9-6-4-3-5-7-10-19/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyKADUUFGXQPEBPJ-UHFFFAOYSA-N
XLogP3.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(4-methyl-1,4-diazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80766308
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80761980
N'-[4-(azepan-1-yl)-5-bromopyrimidin-2-yl]ethane-1,2-diamine;dihydrochloride
CID 66903553
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810345
1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674599
5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80855237
5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767611
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80766777

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine (CID 80764338) is 4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(N2CCCCCCC2)n1.
What is the InChIKey of 4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine?
The InChIKey is KADUUFGXQPEBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-2-8-16-14-17-11-12(15)13(18-14)19-9-6-4-3-5-7-10-19/h11H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine?
4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine has a molecular weight of 327.27 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80764338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).