5-(aminomethyl)-1-cyclopropylpyrimidin-4-one

C8H11N3O — CID 115114533

IUPAC5-(aminomethyl)-1-cyclopropylpyrimidin-4-one
SMILESNCc1cn(C2CC2)cnc1=O
InChIInChI=1S/C8H11N3O/c9-3-6-4-11(7-1-2-7)5-10-8(6)12/h4-5,7H,1-3,9H2
InChIKeyJOVGZXJJNZAXDG-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.04
Rot. Bonds2

About 5-(aminomethyl)-1-cyclopropylpyrimidin-4-one

5-(aminomethyl)-1-cyclopropylpyrimidin-4-one (PubChem CID 115114533) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-(aminomethyl)-1-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-cyclopropylpyrimidin-4-one
PubChem CID115114533
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-(aminomethyl)-1-cyclopropylpyrimidin-4-one
SMILESNCc1cn(C2CC2)cnc1=O
InChIInChI=1S/C8H11N3O/c9-3-6-4-11(7-1-2-7)5-10-8(6)12/h4-5,7H,1-3,9H2
InChIKeyJOVGZXJJNZAXDG-UHFFFAOYSA-N
XLogP0.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-cyclopropylpyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-cyclopropylpyrimidin-4-one (CID 115114533) is 5-(aminomethyl)-1-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-cyclopropylpyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-cyclopropylpyrimidin-4-one is NCc1cn(C2CC2)cnc1=O.
What is the InChIKey of 5-(aminomethyl)-1-cyclopropylpyrimidin-4-one?
The InChIKey is JOVGZXJJNZAXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-3-6-4-11(7-1-2-7)5-10-8(6)12/h4-5,7H,1-3,9H2.
What are the key properties of 5-(aminomethyl)-1-cyclopropylpyrimidin-4-one?
5-(aminomethyl)-1-cyclopropylpyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 115114533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).