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

C8H11N3O — CID 82502898

IUPAC5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCc1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C8H11N3O/c9-3-6-4-10-7(5-1-2-5)11-8(6)12/h4-5H,1-3,9H2,(H,10,11,12)
InChIKeyWGNLJIWJSHPPNI-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.11
Rot. Bonds2

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

5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 82502898) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID82502898
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCc1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C8H11N3O/c9-3-6-4-10-7(5-1-2-5)11-8(6)12/h4-5H,1-3,9H2,(H,10,11,12)
InChIKeyWGNLJIWJSHPPNI-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 5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one (CID 82502898) is 5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one is NCc1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is WGNLJIWJSHPPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-3-6-4-10-7(5-1-2-5)11-8(6)12/h4-5H,1-3,9H2,(H,10,11,12).
What are the key properties of 5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one?
5-(aminomethyl)-2-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 5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 82502898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).