6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione

C24H25ClN4O3 — CID 55838710

IUPAC6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN(Cc2ccc(Cl)cc2)C2CC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H25ClN4O3/c1-27-23(31)21(22(26)29(24(27)32)14-16-5-3-2-4-6-16)20(30)15-28(19-11-12-19)13-17-7-9-18(25)10-8-17/h2-10,19H,11-15,26H2,1H3
InChIKeyASFIISVRWDFFRR-UHFFFAOYSA-N
MW452.94 g/mol
LogP2.68
Rot. Bonds8

About 6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione (PubChem CID 55838710) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione
PubChem CID55838710
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN(Cc2ccc(Cl)cc2)C2CC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H25ClN4O3/c1-27-23(31)21(22(26)29(24(27)32)14-16-5-3-2-4-6-16)20(30)15-28(19-11-12-19)13-17-7-9-18(25)10-8-17/h2-10,19H,11-15,26H2,1H3
InChIKeyASFIISVRWDFFRR-UHFFFAOYSA-N
XLogP2.68
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-1-benzyl-5-[2-[cycloheptyl(methyl)amino]acetyl]-3-methylpyrimidine-2,4-dione
CID 16577799
6-amino-1-benzyl-5-[2-(dimethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2568067
6-amino-1-benzyl-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 4793867
6-amino-1-benzyl-3-methyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2685169
6-amino-1-benzyl-5-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetyl]-3-ethylpyrimidine-2,4-dione
CID 55838723
6-amino-1-benzyl-5-[2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 56574804
[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopropanecarboxylate
CID 5014367
[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 4235248
6-amino-1-benzyl-5-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 2570548
6-amino-1-benzyl-5-[2-[(4-bromothiophen-2-yl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 55841447
6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione
CID 5156725
[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 2477702

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione (CID 55838710) is 6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)c(C(=O)CN(Cc2ccc(Cl)cc2)C2CC2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is ASFIISVRWDFFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-27-23(31)21(22(26)29(24(27)32)14-16-5-3-2-4-6-16)20(30)15-28(19-11-12-19)13-17-7-9-18(25)10-8-17/h2-10,19H,11-15,26H2,1H3.
What are the key properties of 6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione?
6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 452.94 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 55838710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).