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

C10H9N3O — CID 13101636

IUPAC6-amino-5-phenyl-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1-c1ccccc1
InChIInChI=1S/C10H9N3O/c11-9-8(6-12-10(14)13-9)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyOXNMCOVZKMZLHE-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.02
Rot. Bonds1

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

6-amino-5-phenyl-1H-pyrimidin-2-one (PubChem CID 13101636) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-amino-5-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-phenyl-1H-pyrimidin-2-one
PubChem CID13101636
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name6-amino-5-phenyl-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1-c1ccccc1
InChIInChI=1S/C10H9N3O/c11-9-8(6-12-10(14)13-9)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyOXNMCOVZKMZLHE-UHFFFAOYSA-N
XLogP1.02
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-phenyl-1H-pyrimidin-2-one (CID 13101636) is 6-amino-5-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-phenyl-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1-c1ccccc1.
What is the InChIKey of 6-amino-5-phenyl-1H-pyrimidin-2-one?
The InChIKey is OXNMCOVZKMZLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-9-8(6-12-10(14)13-9)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14).
What are the key properties of 6-amino-5-phenyl-1H-pyrimidin-2-one?
6-amino-5-phenyl-1H-pyrimidin-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 13101636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).