6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione

C22H26N4O3 — CID 9261415

IUPAC6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(C)Cc2ccc3ccccc3c2)c(=O)n(C)c1=O
InChIInChI=1S/C22H26N4O3/c1-4-11-26-20(23)19(21(28)25(3)22(26)29)18(27)14-24(2)13-15-9-10-16-7-5-6-8-17(16)12-15/h5-10,12H,4,11,13-14,23H2,1-3H3
InChIKeyYJLLILIKMXBQEL-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.01
Rot. Bonds7

About 6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 9261415) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID9261415
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(C)Cc2ccc3ccccc3c2)c(=O)n(C)c1=O
InChIInChI=1S/C22H26N4O3/c1-4-11-26-20(23)19(21(28)25(3)22(26)29)18(27)14-24(2)13-15-9-10-16-7-5-6-8-17(16)12-15/h5-10,12H,4,11,13-14,23H2,1-3H3
InChIKeyYJLLILIKMXBQEL-UHFFFAOYSA-N
XLogP2.01
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-[2-[(4-tert-butylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 8908549
6-amino-1-benzyl-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 4793867
6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9045728
6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 9102366
6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27206199
6-amino-5-[2-[(3-chlorophenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27249624
6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 27243240
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-(dimethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2568067
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 16527168
6-amino-5-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4847990
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] benzoate
CID 7868471

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione (CID 9261415) is 6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN(C)Cc2ccc3ccccc3c2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is YJLLILIKMXBQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-11-26-20(23)19(21(28)25(3)22(26)29)18(27)14-24(2)13-15-9-10-16-7-5-6-8-17(16)12-15/h5-10,12H,4,11,13-14,23H2,1-3H3.
What are the key properties of 6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 394.48 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9261415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).