1-amino-3-pyrimidin-4-ylpropan-2-one

C7H9N3O — CID 177333601

IUPAC1-amino-3-pyrimidin-4-ylpropan-2-one
SMILESNCC(=O)Cc1ccncn1
InChIInChI=1S/C7H9N3O/c8-4-7(11)3-6-1-2-9-5-10-6/h1-2,5H,3-4,8H2
InChIKeyHTXOKFCNWJGSFR-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.45
Rot. Bonds3

About 1-amino-3-pyrimidin-4-ylpropan-2-one

1-amino-3-pyrimidin-4-ylpropan-2-one (PubChem CID 177333601) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-amino-3-pyrimidin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-pyrimidin-4-ylpropan-2-one
PubChem CID177333601
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-amino-3-pyrimidin-4-ylpropan-2-one
SMILESNCC(=O)Cc1ccncn1
InChIInChI=1S/C7H9N3O/c8-4-7(11)3-6-1-2-9-5-10-6/h1-2,5H,3-4,8H2
InChIKeyHTXOKFCNWJGSFR-UHFFFAOYSA-N
XLogP-0.45
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-pyrimidin-4-ylpropan-2-one?
The IUPAC name of 1-amino-3-pyrimidin-4-ylpropan-2-one (CID 177333601) is 1-amino-3-pyrimidin-4-ylpropan-2-one.
What is the SMILES notation for 1-amino-3-pyrimidin-4-ylpropan-2-one?
The canonical SMILES for 1-amino-3-pyrimidin-4-ylpropan-2-one is NCC(=O)Cc1ccncn1.
What is the InChIKey of 1-amino-3-pyrimidin-4-ylpropan-2-one?
The InChIKey is HTXOKFCNWJGSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-4-7(11)3-6-1-2-9-5-10-6/h1-2,5H,3-4,8H2.
What are the key properties of 1-amino-3-pyrimidin-4-ylpropan-2-one?
1-amino-3-pyrimidin-4-ylpropan-2-one has a molecular weight of 151.17 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-pyrimidin-4-ylpropan-2-one is sourced from PubChem (CID 177333601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).