6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

C17H22N4O3 — CID 27133743

IUPAC6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H22N4O3/c1-11(19(2)10-12-8-6-5-7-9-12)14(22)13-15(18)20(3)17(24)21(4)16(13)23/h5-9,11H,10,18H2,1-4H3/t11-/m1/s1
InChIKeyFTUJDHZUQKFBBB-LLVKDONJSA-N
MW330.39 g/mol
LogP0.37
Rot. Bonds5

About 6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 27133743) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID27133743
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H22N4O3/c1-11(19(2)10-12-8-6-5-7-9-12)14(22)13-15(18)20(3)17(24)21(4)16(13)23/h5-9,11H,10,18H2,1-4H3/t11-/m1/s1
InChIKeyFTUJDHZUQKFBBB-LLVKDONJSA-N
XLogP0.37
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 51168283
6-amino-5-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55351827
6-amino-1,3-dimethyl-5-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanoyl]pyrimidine-2,4-dione
CID 86865451
6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27206199
6-amino-5-[2-[ethyl(2-phenylethyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 47056286
6-amino-5-[2-[3-benzyl-4-(difluoromethoxy)anilino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 42926185
6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27249624
6-amino-5-[2-(2-methoxy-N-methylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 47057162
6-amino-5-[(2R)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27994620
N-[4-[[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]amino]phenyl]acetamide
CID 40799323
6-amino-1-benzyl-5-[2-(dimethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2568067
6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 27243240

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 27133743) is 6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)Cc1ccccc1.
What is the InChIKey of 6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is FTUJDHZUQKFBBB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(19(2)10-12-8-6-5-7-9-12)14(22)13-15(18)20(3)17(24)21(4)16(13)23/h5-9,11H,10,18H2,1-4H3/t11-/m1/s1.
What are the key properties of 6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2R)-2-[benzyl(methyl)amino]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 27133743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).