2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one

C13H13N3O — CID 137119203

IUPAC2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one
SMILESNc1nc(C2CC2c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C13H13N3O/c14-13-15-11(7-12(17)16-13)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H3,14,15,16,17)
InChIKeyGQUMSCBPQXNIPT-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.62
Rot. Bonds2

About 2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one

2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one (PubChem CID 137119203) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one
PubChem CID137119203
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one
SMILESNc1nc(C2CC2c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C13H13N3O/c14-13-15-11(7-12(17)16-13)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H3,14,15,16,17)
InChIKeyGQUMSCBPQXNIPT-UHFFFAOYSA-N
XLogP1.62
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one (CID 137119203) is 2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one is Nc1nc(C2CC2c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one?
The InChIKey is GQUMSCBPQXNIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-13-15-11(7-12(17)16-13)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H3,14,15,16,17).
What are the key properties of 2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one?
2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one has a molecular weight of 227.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-phenylcyclopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137119203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).