4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine

C15H17BrN4O — CID 80879763

IUPAC4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine
SMILESNc1ncc(Br)c(OC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C15H17BrN4O/c16-13-8-18-15(17)19-14(13)21-12-6-7-20(10-12)9-11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H2,17,18,19)
InChIKeyZDALWQPPWQHHFX-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.47
Rot. Bonds4

About 4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine

4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine (PubChem CID 80879763) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine
PubChem CID80879763
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine
SMILESNc1ncc(Br)c(OC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C15H17BrN4O/c16-13-8-18-15(17)19-14(13)21-12-6-7-20(10-12)9-11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H2,17,18,19)
InChIKeyZDALWQPPWQHHFX-UHFFFAOYSA-N
XLogP2.47
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylpyrrolidin-3-yl)oxypyridin-3-amine
CID 62911300
2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine
CID 115474532
2-(1-benzylpyrrolidin-3-yl)oxy-5-methylpyridin-3-amine
CID 66281326
2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
CID 62918212
[3-(1-benzylpyrrolidin-3-yl)oxypyrazin-2-yl]methanamine
CID 62911298
4-(1-benzylpyrrolidin-3-yl)oxy-3-bromoaniline
CID 62916334
4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
CID 62916163
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
CID 22254574
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine
CID 68875331

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine?
The IUPAC name of 4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine (CID 80879763) is 4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine?
The canonical SMILES for 4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine is Nc1ncc(Br)c(OC2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of 4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine?
The InChIKey is ZDALWQPPWQHHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-13-8-18-15(17)19-14(13)21-12-6-7-20(10-12)9-11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H2,17,18,19).
What are the key properties of 4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine?
4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine has a molecular weight of 349.23 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine is sourced from PubChem (CID 80879763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).