5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine

C15H24BrN5 — CID 80810345

IUPAC5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C15H24BrN5/c1-2-6-17-15-18-10-13(16)14(19-15)21-9-5-12(11-21)20-7-3-4-8-20/h10,12H,2-9,11H2,1H3,(H,17,18,19)
InChIKeySLJWZHHEPLBAST-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.74
Rot. Bonds5

About 5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine

5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine (PubChem CID 80810345) has the molecular formula C15H24BrN5 and a molecular weight of 354.30 g/mol. Its IUPAC name is 5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
PubChem CID80810345
Molecular FormulaC15H24BrN5
Molecular Weight354.30 g/mol
Exact Mass353.12
IUPAC Name5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C15H24BrN5/c1-2-6-17-15-18-10-13(16)14(19-15)21-9-5-12(11-21)20-7-3-4-8-20/h10,12H,2-9,11H2,1H3,(H,17,18,19)
InChIKeySLJWZHHEPLBAST-UHFFFAOYSA-N
XLogP2.74
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810446
4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
CID 80764338
1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674599
N-ethyl-5-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80827968
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
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-bromo-N-methylpyrimidin-2-amine
CID 80854580
5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80761980
5-bromo-4-(4-methyl-1,4-diazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80766308
5-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylpyrimidin-2-amine
CID 80836484
5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80810445
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine (CID 80810345) is 5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine is CCCNc1ncc(Br)c(N2CCC(N3CCCC3)C2)n1.
What is the InChIKey of 5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine?
The InChIKey is SLJWZHHEPLBAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5/c1-2-6-17-15-18-10-13(16)14(19-15)21-9-5-12(11-21)20-7-3-4-8-20/h10,12H,2-9,11H2,1H3,(H,17,18,19).
What are the key properties of 5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine?
5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine has a molecular weight of 354.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80810345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).