4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one

C10H14BrN3O2 — CID 114586464

IUPAC4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one
SMILESNC1(COc2nc[nH]c(=O)c2Br)CCCC1
InChIInChI=1S/C10H14BrN3O2/c11-7-8(15)13-6-14-9(7)16-5-10(12)3-1-2-4-10/h6H,1-5,12H2,(H,13,14,15)
InChIKeyKJQJVAIHCKNAAP-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.18
Rot. Bonds3

About 4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one

4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one (PubChem CID 114586464) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one
PubChem CID114586464
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one
SMILESNC1(COc2nc[nH]c(=O)c2Br)CCCC1
InChIInChI=1S/C10H14BrN3O2/c11-7-8(15)13-6-14-9(7)16-5-10(12)3-1-2-4-10/h6H,1-5,12H2,(H,13,14,15)
InChIKeyKJQJVAIHCKNAAP-UHFFFAOYSA-N
XLogP1.18
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one (CID 114586464) is 4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one is NC1(COc2nc[nH]c(=O)c2Br)CCCC1.
What is the InChIKey of 4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is KJQJVAIHCKNAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-7-8(15)13-6-14-9(7)16-5-10(12)3-1-2-4-10/h6H,1-5,12H2,(H,13,14,15).
What are the key properties of 4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one?
4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 288.14 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopentyl)methoxy]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).