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

C18H24N4O3 — CID 27206199

IUPAC6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCc1ccc(CN(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C18H24N4O3/c1-5-12-6-8-13(9-7-12)10-20(2)11-14(23)15-16(19)21(3)18(25)22(4)17(15)24/h6-9H,5,10-11,19H2,1-4H3
InChIKeyFELCVHHDCXGYPP-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.54
Rot. Bonds6

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

6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 27206199) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID27206199
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCc1ccc(CN(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C18H24N4O3/c1-5-12-6-8-13(9-7-12)10-20(2)11-14(23)15-16(19)21(3)18(25)22(4)17(15)24/h6-9H,5,10-11,19H2,1-4H3
InChIKeyFELCVHHDCXGYPP-UHFFFAOYSA-N
XLogP0.54
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 27206199) is 6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione is CCc1ccc(CN(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is FELCVHHDCXGYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-12-6-8-13(9-7-12)10-20(2)11-14(23)15-16(19)21(3)18(25)22(4)17(15)24/h6-9H,5,10-11,19H2,1-4H3.
What are the key properties of 6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 27206199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).