5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine

C13H21BrN4 — CID 80855237

IUPAC5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCC(C)(C)C2)n1
InChIInChI=1S/C13H21BrN4/c1-4-6-15-12-16-8-10(14)11(17-12)18-7-5-13(2,3)9-18/h8H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyARMHETNCOYAAOJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.30
Rot. Bonds4

About 5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine

5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80855237) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80855237
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCC(C)(C)C2)n1
InChIInChI=1S/C13H21BrN4/c1-4-6-15-12-16-8-10(14)11(17-12)18-7-5-13(2,3)9-18/h8H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyARMHETNCOYAAOJ-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
CID 80764338
5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80761980
1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107678
1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674599
5-bromo-4-(4-methyl-1,4-diazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80766308
5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767611
5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810345
1-[5-bromo-2-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80830813
4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80830988
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322483
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80766777

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine (CID 80855237) is 5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(N2CCC(C)(C)C2)n1.
What is the InChIKey of 5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is ARMHETNCOYAAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-4-6-15-12-16-8-10(14)11(17-12)18-7-5-13(2,3)9-18/h8H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 313.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80855237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).