2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one

C12H13Cl2N3O — CID 11666379

IUPAC2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2ccc(Cl)c(Cl)c2)N=C1N
InChIInChI=1S/C12H13Cl2N3O/c1-12(6-10(18)17(2)11(15)16-12)7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H2,15,16)
InChIKeyXICGXUBMFPRVMO-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.39
Rot. Bonds1

About 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 11666379) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID11666379
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2ccc(Cl)c(Cl)c2)N=C1N
InChIInChI=1S/C12H13Cl2N3O/c1-12(6-10(18)17(2)11(15)16-12)7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H2,15,16)
InChIKeyXICGXUBMFPRVMO-UHFFFAOYSA-N
XLogP2.39
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 11666379) is 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2ccc(Cl)c(Cl)c2)N=C1N.
What is the InChIKey of 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is XICGXUBMFPRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-12(6-10(18)17(2)11(15)16-12)7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 286.16 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 11666379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).