5-amino-2-cyclopropyl-1H-pyrimidin-6-one

C7H9N3O — CID 12883945

IUPAC5-amino-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNc1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C7H9N3O/c8-5-3-9-6(4-1-2-4)10-7(5)11/h3-4H,1-2,8H2,(H,9,10,11)
InChIKeyQTLUUBYEZOZIHU-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.23
Rot. Bonds1

About 5-amino-2-cyclopropyl-1H-pyrimidin-6-one

5-amino-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 12883945) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-amino-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID12883945
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-amino-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNc1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C7H9N3O/c8-5-3-9-6(4-1-2-4)10-7(5)11/h3-4H,1-2,8H2,(H,9,10,11)
InChIKeyQTLUUBYEZOZIHU-UHFFFAOYSA-N
XLogP0.23
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-cyclopropyl-1H-pyrimidin-6-one (CID 12883945) is 5-amino-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-cyclopropyl-1H-pyrimidin-6-one is Nc1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 5-amino-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is QTLUUBYEZOZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-5-3-9-6(4-1-2-4)10-7(5)11/h3-4H,1-2,8H2,(H,9,10,11).
What are the key properties of 5-amino-2-cyclopropyl-1H-pyrimidin-6-one?
5-amino-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 151.17 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 12883945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).