2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one

C11H11Cl2N3O — CID 11565289

IUPAC2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one
SMILESCC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC(N)=N1
InChIInChI=1S/C11H11Cl2N3O/c1-11(5-9(17)15-10(14)16-11)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H3,14,15,16,17)
InChIKeyBSPRSYCGMJBMNU-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.04
Rot. Bonds1

About 2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one

2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one (PubChem CID 11565289) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one
PubChem CID11565289
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one
SMILESCC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC(N)=N1
InChIInChI=1S/C11H11Cl2N3O/c1-11(5-9(17)15-10(14)16-11)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H3,14,15,16,17)
InChIKeyBSPRSYCGMJBMNU-UHFFFAOYSA-N
XLogP2.04
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-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-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one?
The IUPAC name of 2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one (CID 11565289) is 2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one is CC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC(N)=N1.
What is the InChIKey of 2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one?
The InChIKey is BSPRSYCGMJBMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-11(5-9(17)15-10(14)16-11)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one?
2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one has a molecular weight of 272.13 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one is sourced from PubChem (CID 11565289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).