4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one

C10H13FN4O2 — CID 168659628

IUPAC4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
SMILESCOc1ncc(F)c(N2CC(CN)CC2=O)n1
InChIInChI=1S/C10H13FN4O2/c1-17-10-13-4-7(11)9(14-10)15-5-6(3-12)2-8(15)16/h4,6H,2-3,5,12H2,1H3
InChIKeyABCFSWKKUXNFKY-UHFFFAOYSA-N
MW240.24 g/mol
LogP-0.06
Rot. Bonds3

About 4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 168659628) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
PubChem CID168659628
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC Name4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
SMILESCOc1ncc(F)c(N2CC(CN)CC2=O)n1
InChIInChI=1S/C10H13FN4O2/c1-17-10-13-4-7(11)9(14-10)15-5-6(3-12)2-8(15)16/h4,6H,2-3,5,12H2,1H3
InChIKeyABCFSWKKUXNFKY-UHFFFAOYSA-N
XLogP-0.06
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one (CID 168659628) is 4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one is COc1ncc(F)c(N2CC(CN)CC2=O)n1.
What is the InChIKey of 4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is ABCFSWKKUXNFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2/c1-17-10-13-4-7(11)9(14-10)15-5-6(3-12)2-8(15)16/h4,6H,2-3,5,12H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 240.24 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168659628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).