5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine

C13H21BrN4 — CID 66340331

IUPAC5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine
SMILESCC(CNc1ncncc1Br)CN1CCCCC1
InChIInChI=1S/C13H21BrN4/c1-11(9-18-5-3-2-4-6-18)7-16-13-12(14)8-15-10-17-13/h8,10-11H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyHPSWNPWFJFXQOQ-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.77
Rot. Bonds5

About 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine

5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine (PubChem CID 66340331) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine
PubChem CID66340331
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine
SMILESCC(CNc1ncncc1Br)CN1CCCCC1
InChIInChI=1S/C13H21BrN4/c1-11(9-18-5-3-2-4-6-18)7-16-13-12(14)8-15-10-17-13/h8,10-11H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyHPSWNPWFJFXQOQ-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine
CID 79918788
5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66339705
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417
5-ethyl-6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80913903
N-(2-methyl-3-piperidin-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832802
N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]thieno[2,3-d]pyrimidin-4-amine
CID 51891886
5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 66341943
3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
CID 104506810
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)isoquinolin-1-amine
CID 106538482
5-bromo-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764259
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62993045

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine (CID 66340331) is 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine is CC(CNc1ncncc1Br)CN1CCCCC1.
What is the InChIKey of 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is HPSWNPWFJFXQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-11(9-18-5-3-2-4-6-18)7-16-13-12(14)8-15-10-17-13/h8,10-11H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine?
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 313.24 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 66340331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).