6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione

C18H24N4O4 — CID 2398597

IUPAC6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione
SMILESCOCCCNCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C18H24N4O4/c1-21-17(24)15(14(23)11-20-9-6-10-26-2)16(19)22(18(21)25)12-13-7-4-3-5-8-13/h3-5,7-8,20H,6,9-12,19H2,1-2H3
InChIKeyMVEFTGWAQOQCQT-UHFFFAOYSA-N
MW360.41 g/mol
LogP-0.01
Rot. Bonds9

About 6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione (PubChem CID 2398597) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione
PubChem CID2398597
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione
SMILESCOCCCNCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C18H24N4O4/c1-21-17(24)15(14(23)11-20-9-6-10-26-2)16(19)22(18(21)25)12-13-7-4-3-5-8-13/h3-5,7-8,20H,6,9-12,19H2,1-2H3
InChIKeyMVEFTGWAQOQCQT-UHFFFAOYSA-N
XLogP-0.01
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione (CID 2398597) is 6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione is COCCCNCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is MVEFTGWAQOQCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-21-17(24)15(14(23)11-20-9-6-10-26-2)16(19)22(18(21)25)12-13-7-4-3-5-8-13/h3-5,7-8,20H,6,9-12,19H2,1-2H3.
What are the key properties of 6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione?
6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of -0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[2-(3-methoxypropylamino)acetyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 2398597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).