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

C13H21BrN4 — CID 80766777

IUPAC5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCCCC2C)n1
InChIInChI=1S/C13H21BrN4/c1-3-7-15-13-16-9-11(14)12(17-13)18-8-5-4-6-10(18)2/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeySCOHZGQATGABKK-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.44
Rot. Bonds4

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

5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80766777) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80766777
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCCCC2C)n1
InChIInChI=1S/C13H21BrN4/c1-3-7-15-13-16-9-11(14)12(17-13)18-8-5-4-6-10(18)2/h9-10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeySCOHZGQATGABKK-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767020
5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80836408
5-bromo-4-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80856446
5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80780829
4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
CID 80764338
5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810345
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767611
1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674599
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-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 104692996

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine (CID 80766777) is 5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(N2CCCCC2C)n1.
What is the InChIKey of 5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is SCOHZGQATGABKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-3-7-15-13-16-9-11(14)12(17-13)18-8-5-4-6-10(18)2/h9-10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine?
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 313.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80766777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).