6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione

C22H29N5O4 — CID 9355192

IUPAC6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N2CCc3ccccc3C2)c1=O
InChIInChI=1S/C22H29N5O4/c1-2-8-26-20(23)19(24-10-12-31-13-11-24)21(29)27(22(26)30)15-18(28)25-9-7-16-5-3-4-6-17(16)14-25/h3-6H,2,7-15,23H2,1H3
InChIKeyHXGRTAGYCYMHEZ-UHFFFAOYSA-N
MW427.51 g/mol
LogP0.42
Rot. Bonds5

About 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione

6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione (PubChem CID 9355192) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
PubChem CID9355192
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N2CCc3ccccc3C2)c1=O
InChIInChI=1S/C22H29N5O4/c1-2-8-26-20(23)19(24-10-12-31-13-11-24)21(29)27(22(26)30)15-18(28)25-9-7-16-5-3-4-6-17(16)14-25/h3-6H,2,7-15,23H2,1H3
InChIKeyHXGRTAGYCYMHEZ-UHFFFAOYSA-N
XLogP0.42
TPSA102.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-amino-3-[2-(azepan-1-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
CID 9355179
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 9355194
6-amino-1-butyl-3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-morpholin-4-ylpyrimidine-2,4-dione
CID 2453936
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 25465766
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
6-amino-1-butyl-5-morpholin-4-yl-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 9355255
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
CID 17407716
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 8630246
7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 53111900
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959834
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768939
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione (CID 9355192) is 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N2CCc3ccccc3C2)c1=O.
What is the InChIKey of 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
The InChIKey is HXGRTAGYCYMHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-2-8-26-20(23)19(24-10-12-31-13-11-24)21(29)27(22(26)30)15-18(28)25-9-7-16-5-3-4-6-17(16)14-25/h3-6H,2,7-15,23H2,1H3.
What are the key properties of 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione has a molecular weight of 427.51 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9355192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).