4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one

C11H16BrN3O2 — CID 114586531

IUPAC4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one
SMILESNCC1CCCC1COc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3O2/c12-9-10(16)14-6-15-11(9)17-5-8-3-1-2-7(8)4-13/h6-8H,1-5,13H2,(H,14,15,16)
InChIKeyXXFMDVNXZDOCLZ-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.29
Rot. Bonds4

About 4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one

4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one (PubChem CID 114586531) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one
PubChem CID114586531
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one
SMILESNCC1CCCC1COc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3O2/c12-9-10(16)14-6-15-11(9)17-5-8-3-1-2-7(8)4-13/h6-8H,1-5,13H2,(H,14,15,16)
InChIKeyXXFMDVNXZDOCLZ-UHFFFAOYSA-N
XLogP1.29
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one (CID 114586531) is 4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one is NCC1CCCC1COc1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is XXFMDVNXZDOCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c12-9-10(16)14-6-15-11(9)17-5-8-3-1-2-7(8)4-13/h6-8H,1-5,13H2,(H,14,15,16).
What are the key properties of 4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one?
4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).