6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione

C25H30N4O5 — CID 2508897

IUPAC6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN(C)Cc2cccc(OC)c2OC)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H30N4O5/c1-5-28-24(31)21(23(26)29(25(28)32)14-17-10-7-6-8-11-17)19(30)16-27(2)15-18-12-9-13-20(33-3)22(18)34-4/h6-13H,5,14-16,26H2,1-4H3
InChIKeyVTFCHSHFEWOHTC-UHFFFAOYSA-N
MW466.54 g/mol
LogP1.99
Rot. Bonds10

About 6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione (PubChem CID 2508897) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
PubChem CID2508897
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN(C)Cc2cccc(OC)c2OC)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C25H30N4O5/c1-5-28-24(31)21(23(26)29(25(28)32)14-17-10-7-6-8-11-17)19(30)16-27(2)15-18-12-9-13-20(33-3)22(18)34-4/h6-13H,5,14-16,26H2,1-4H3
InChIKeyVTFCHSHFEWOHTC-UHFFFAOYSA-N
XLogP1.99
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione (CID 2508897) is 6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN(C)Cc2cccc(OC)c2OC)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione?
The InChIKey is VTFCHSHFEWOHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-5-28-24(31)21(23(26)29(25(28)32)14-17-10-7-6-8-11-17)19(30)16-27(2)15-18-12-9-13-20(33-3)22(18)34-4/h6-13H,5,14-16,26H2,1-4H3.
What are the key properties of 6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione?
6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione has a molecular weight of 466.54 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]-3-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 2508897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).