2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one

C8H11N3O — CID 84652113

IUPAC2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one
SMILESNCc1ncc(C2CC2)c(=O)[nH]1
InChIInChI=1S/C8H11N3O/c9-3-7-10-4-6(5-1-2-5)8(12)11-7/h4-5H,1-3,9H2,(H,10,11,12)
InChIKeyMAGCFLCISLVINB-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.11
Rot. Bonds2

About 2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one

2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 84652113) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one
PubChem CID84652113
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one
SMILESNCc1ncc(C2CC2)c(=O)[nH]1
InChIInChI=1S/C8H11N3O/c9-3-7-10-4-6(5-1-2-5)8(12)11-7/h4-5H,1-3,9H2,(H,10,11,12)
InChIKeyMAGCFLCISLVINB-UHFFFAOYSA-N
XLogP0.11
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one (CID 84652113) is 2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one is NCc1ncc(C2CC2)c(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is MAGCFLCISLVINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-3-7-10-4-6(5-1-2-5)8(12)11-7/h4-5H,1-3,9H2,(H,10,11,12).
What are the key properties of 2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 165.20 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 84652113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).