2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one

C12H15N3O — CID 23731036

IUPAC2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2ccccc2)N=C1N
InChIInChI=1S/C12H15N3O/c1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyURQFBHCCEWZHPM-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.08
Rot. Bonds1

About 2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one

2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one (PubChem CID 23731036) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one
PubChem CID23731036
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2ccccc2)N=C1N
InChIInChI=1S/C12H15N3O/c1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyURQFBHCCEWZHPM-UHFFFAOYSA-N
XLogP1.08
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one (CID 23731036) is 2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2ccccc2)N=C1N.
What is the InChIKey of 2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one?
The InChIKey is URQFBHCCEWZHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(9-6-4-3-5-7-9)8-10(16)15(2)11(13)14-12/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one?
2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-6-phenyl-5H-pyrimidin-4-one is sourced from PubChem (CID 23731036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).