4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one

C10H15BrN4O — CID 136794228

IUPAC4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one
SMILESCC1(CN)CCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C10H15BrN4O/c1-10(4-12)2-3-15(5-10)8-7(11)9(16)14-6-13-8/h6H,2-5,12H2,1H3,(H,13,14,16)
InChIKeyYETXACHMWSRXEW-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.71
Rot. Bonds2

About 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one

4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136794228) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one
PubChem CID136794228
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one
SMILESCC1(CN)CCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C10H15BrN4O/c1-10(4-12)2-3-15(5-10)8-7(11)9(16)14-6-13-8/h6H,2-5,12H2,1H3,(H,13,14,16)
InChIKeyYETXACHMWSRXEW-UHFFFAOYSA-N
XLogP0.71
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one (CID 136794228) is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one is CC1(CN)CCN(c2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is YETXACHMWSRXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-10(4-12)2-3-15(5-10)8-7(11)9(16)14-6-13-8/h6H,2-5,12H2,1H3,(H,13,14,16).
What are the key properties of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one?
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136794228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).