2-anilino-4-cyclopropyl-1H-pyrimidin-6-one

C13H13N3O — CID 135812631

IUPAC2-anilino-4-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C13H13N3O/c17-12-8-11(9-6-7-9)15-13(16-12)14-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16,17)
InChIKeyZHOWDIYAIZBBFL-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.39
Rot. Bonds3

About 2-anilino-4-cyclopropyl-1H-pyrimidin-6-one

2-anilino-4-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 135812631) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-anilino-4-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-4-cyclopropyl-1H-pyrimidin-6-one
PubChem CID135812631
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-anilino-4-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C13H13N3O/c17-12-8-11(9-6-7-9)15-13(16-12)14-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16,17)
InChIKeyZHOWDIYAIZBBFL-UHFFFAOYSA-N
XLogP2.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-4-cyclopropyl-1H-pyrimidin-6-one (CID 135812631) is 2-anilino-4-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-4-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-4-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(C2CC2)nc(Nc2ccccc2)[nH]1.
What is the InChIKey of 2-anilino-4-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is ZHOWDIYAIZBBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-12-8-11(9-6-7-9)15-13(16-12)14-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16,17).
What are the key properties of 2-anilino-4-cyclopropyl-1H-pyrimidin-6-one?
2-anilino-4-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 227.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135812631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).