5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C11H17BrN4O — CID 136989741

IUPAC5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCCNCC1CCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H17BrN4O/c1-2-13-6-8-4-3-5-16(8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6H2,1H3,(H,14,15,17)
InChIKeyZSLUINODUJFDEM-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.11
Rot. Bonds4

About 5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136989741) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136989741
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCCNCC1CCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H17BrN4O/c1-2-13-6-8-4-3-5-16(8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6H2,1H3,(H,14,15,17)
InChIKeyZSLUINODUJFDEM-UHFFFAOYSA-N
XLogP1.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136989741) is 5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is CCNCC1CCCN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ZSLUINODUJFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-2-13-6-8-4-3-5-16(8)10-9(12)11(17)15-7-14-10/h7-8,13H,2-6H2,1H3,(H,14,15,17).
What are the key properties of 5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 301.19 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).