6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione

C20H28N4O4 — CID 78820474

IUPAC6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione
SMILESCCCN(CCO)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O
InChIInChI=1S/C20H28N4O4/c1-3-10-22(11-12-25)14-16(26)17-18(21)24(13-15-8-6-5-7-9-15)20(28)23(4-2)19(17)27/h5-9,25H,3-4,10-14,21H2,1-2H3
InChIKeyNGXLJZSZCZTYKJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.55
Rot. Bonds10

About 6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione

6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione (PubChem CID 78820474) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione
PubChem CID78820474
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione
SMILESCCCN(CCO)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O
InChIInChI=1S/C20H28N4O4/c1-3-10-22(11-12-25)14-16(26)17-18(21)24(13-15-8-6-5-7-9-15)20(28)23(4-2)19(17)27/h5-9,25H,3-4,10-14,21H2,1-2H3
InChIKeyNGXLJZSZCZTYKJ-UHFFFAOYSA-N
XLogP0.55
TPSA110.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione (CID 78820474) is 6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione is CCCN(CCO)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O.
What is the InChIKey of 6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione?
The InChIKey is NGXLJZSZCZTYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-3-10-22(11-12-25)14-16(26)17-18(21)24(13-15-8-6-5-7-9-15)20(28)23(4-2)19(17)27/h5-9,25H,3-4,10-14,21H2,1-2H3.
What are the key properties of 6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione?
6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione has a molecular weight of 388.47 g/mol, XLogP of 0.55, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-3-ethyl-5-[2-[2-hydroxyethyl(propyl)amino]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 78820474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).