4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one

C13H15N3O — CID 82081550

IUPAC4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one
SMILESCc1cc(C)c(-c2cc(N)nc(=O)[nH]2)c(C)c1
InChIInChI=1S/C13H15N3O/c1-7-4-8(2)12(9(3)5-7)10-6-11(14)16-13(17)15-10/h4-6H,1-3H3,(H3,14,15,16,17)
InChIKeyGDXGVKKKZDPAGB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.94
Rot. Bonds1

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

4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one (PubChem CID 82081550) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one
PubChem CID82081550
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one
SMILESCc1cc(C)c(-c2cc(N)nc(=O)[nH]2)c(C)c1
InChIInChI=1S/C13H15N3O/c1-7-4-8(2)12(9(3)5-7)10-6-11(14)16-13(17)15-10/h4-6H,1-3H3,(H3,14,15,16,17)
InChIKeyGDXGVKKKZDPAGB-UHFFFAOYSA-N
XLogP1.94
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one (CID 82081550) is 4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one is Cc1cc(C)c(-c2cc(N)nc(=O)[nH]2)c(C)c1.
What is the InChIKey of 4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one?
The InChIKey is GDXGVKKKZDPAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-7-4-8(2)12(9(3)5-7)10-6-11(14)16-13(17)15-10/h4-6H,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one?
4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2,4,6-trimethylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82081550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).