6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one

C8H11N3O — CID 82414638

IUPAC6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one
SMILESNCc1cc(C2CC2)nc(=O)[nH]1
InChIInChI=1S/C8H11N3O/c9-4-6-3-7(5-1-2-5)11-8(12)10-6/h3,5H,1-2,4,9H2,(H,10,11,12)
InChIKeyOLEUBRPNHGEENU-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.11
Rot. Bonds2

About 6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one

6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one (PubChem CID 82414638) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one
PubChem CID82414638
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one
SMILESNCc1cc(C2CC2)nc(=O)[nH]1
InChIInChI=1S/C8H11N3O/c9-4-6-3-7(5-1-2-5)11-8(12)10-6/h3,5H,1-2,4,9H2,(H,10,11,12)
InChIKeyOLEUBRPNHGEENU-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 6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one (CID 82414638) is 6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one is NCc1cc(C2CC2)nc(=O)[nH]1.
What is the InChIKey of 6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one?
The InChIKey is OLEUBRPNHGEENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-4-6-3-7(5-1-2-5)11-8(12)10-6/h3,5H,1-2,4,9H2,(H,10,11,12).
What are the key properties of 6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one?
6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-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 6-(aminomethyl)-4-cyclopropyl-1H-pyrimidin-2-one is sourced from PubChem (CID 82414638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).