6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C16H19ClN4O3 — CID 27249624

IUPAC6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4O3/c1-19(8-10-5-4-6-11(17)7-10)9-12(22)13-14(18)20(2)16(24)21(3)15(13)23/h4-7H,8-9,18H2,1-3H3
InChIKeyQMAIFPINXQVNBR-UHFFFAOYSA-N
MW350.81 g/mol
LogP0.63
Rot. Bonds5

About 6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 27249624) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID27249624
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN4O3/c1-19(8-10-5-4-6-11(17)7-10)9-12(22)13-14(18)20(2)16(24)21(3)15(13)23/h4-7H,8-9,18H2,1-3H3
InChIKeyQMAIFPINXQVNBR-UHFFFAOYSA-N
XLogP0.63
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27206199
6-amino-1-benzyl-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
CID 2483737
6-amino-1-benzyl-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 4793867
6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 9261415
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
6-amino-5-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2437213
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,5-difluorophenyl)ethanone
CID 60650523
6-amino-1-benzyl-5-[2-[(4-bromothiophen-2-yl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 55841447
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 60650522
6-amino-5-[2-(2-methoxy-N-methylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 47057162
6-amino-1-benzyl-5-[2-(dimethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2568067
6-amino-5-[2-[ethyl(2-phenylethyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 47056286

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 27249624) is 6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione is CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccc(Cl)c1.
What is the InChIKey of 6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QMAIFPINXQVNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-19(8-10-5-4-6-11(17)7-10)9-12(22)13-14(18)20(2)16(24)21(3)15(13)23/h4-7H,8-9,18H2,1-3H3.
What are the key properties of 6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 350.81 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 27249624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).