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

C10H9N3O2 — CID 4193906

IUPAC2-amino-5-phenoxy-1H-pyrimidin-6-one
SMILESNc1ncc(Oc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O2/c11-10-12-6-8(9(14)13-10)15-7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyHSTJPDNRLDGHJI-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.14
Rot. Bonds2

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

2-amino-5-phenoxy-1H-pyrimidin-6-one (PubChem CID 4193906) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-amino-5-phenoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-phenoxy-1H-pyrimidin-6-one
PubChem CID4193906
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-amino-5-phenoxy-1H-pyrimidin-6-one
SMILESNc1ncc(Oc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O2/c11-10-12-6-8(9(14)13-10)15-7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyHSTJPDNRLDGHJI-UHFFFAOYSA-N
XLogP1.14
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-phenoxy-1H-pyrimidin-6-one (CID 4193906) is 2-amino-5-phenoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-phenoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-phenoxy-1H-pyrimidin-6-one is Nc1ncc(Oc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-phenoxy-1H-pyrimidin-6-one?
The InChIKey is HSTJPDNRLDGHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-10-12-6-8(9(14)13-10)15-7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14).
What are the key properties of 2-amino-5-phenoxy-1H-pyrimidin-6-one?
2-amino-5-phenoxy-1H-pyrimidin-6-one has a molecular weight of 203.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 4193906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).