6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione

C12H12ClN3O2 — CID 54965404

IUPAC6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione
SMILESCC(c1cccc(Cl)c1)n1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C12H12ClN3O2/c1-7(8-3-2-4-9(13)5-8)16-10(14)6-11(17)15-12(16)18/h2-7H,14H2,1H3,(H,15,17,18)
InChIKeyPYLABIJCOHPJGG-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.38
Rot. Bonds2

About 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione

6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione (PubChem CID 54965404) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione
PubChem CID54965404
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione
SMILESCC(c1cccc(Cl)c1)n1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C12H12ClN3O2/c1-7(8-3-2-4-9(13)5-8)16-10(14)6-11(17)15-12(16)18/h2-7H,14H2,1H3,(H,15,17,18)
InChIKeyPYLABIJCOHPJGG-UHFFFAOYSA-N
XLogP1.38
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

6-amino-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione
CID 54958489
1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947480
2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione
CID 101386514
1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one
CID 115371054
6-amino-1-(3-chlorophenyl)-2-sulfanylidenepyrimidin-4-one
CID 7060706
9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64965352
methyl 5-amino-1-[1-(3-chlorophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545026
1-(3-chlorophenyl)ethyl carbamate
CID 121415275
1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716499
4-[(4-amino-3,5-dimethylphenyl)-(3-chlorophenyl)methyl]-2,6-dimethylaniline
CID 102145996
6-amino-1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyrimidine-2,4-dione
CID 98243165
4-(chloromethyl)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168506584

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione (CID 54965404) is 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione is CC(c1cccc(Cl)c1)n1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione?
The InChIKey is PYLABIJCOHPJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7(8-3-2-4-9(13)5-8)16-10(14)6-11(17)15-12(16)18/h2-7H,14H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione?
6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione has a molecular weight of 265.70 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 54965404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).