5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one

C10H11N3O2 — CID 115114560

IUPAC5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one
SMILESNCc1cn(Cc2ccco2)cnc1=O
InChIInChI=1S/C10H11N3O2/c11-4-8-5-13(7-12-10(8)14)6-9-2-1-3-15-9/h1-3,5,7H,4,6,11H2
InChIKeyGFBIPRBYTUZKSK-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.34
Rot. Bonds3

About 5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one

5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one (PubChem CID 115114560) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one
PubChem CID115114560
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one
SMILESNCc1cn(Cc2ccco2)cnc1=O
InChIInChI=1S/C10H11N3O2/c11-4-8-5-13(7-12-10(8)14)6-9-2-1-3-15-9/h1-3,5,7H,4,6,11H2
InChIKeyGFBIPRBYTUZKSK-UHFFFAOYSA-N
XLogP0.34
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one (CID 115114560) is 5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one is NCc1cn(Cc2ccco2)cnc1=O.
What is the InChIKey of 5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is GFBIPRBYTUZKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-4-8-5-13(7-12-10(8)14)6-9-2-1-3-15-9/h1-3,5,7H,4,6,11H2.
What are the key properties of 5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one?
5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(furan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 115114560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).