6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione

C17H20N4O3 — CID 2579979

IUPAC6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCc3ccccc3C2)c(=O)n(C)c1=O
InChIInChI=1S/C17H20N4O3/c1-19-15(18)14(16(23)20(2)17(19)24)13(22)10-21-8-7-11-5-3-4-6-12(11)9-21/h3-6H,7-10,18H2,1-2H3
InChIKeyXXFPBXCKFWQURN-UHFFFAOYSA-N
MW328.37 g/mol
LogP-0.09
Rot. Bonds3

About 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2579979) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2579979
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CN2CCc3ccccc3C2)c(=O)n(C)c1=O
InChIInChI=1S/C17H20N4O3/c1-19-15(18)14(16(23)20(2)17(19)24)13(22)10-21-8-7-11-5-3-4-6-12(11)9-21/h3-6H,7-10,18H2,1-2H3
InChIKeyXXFPBXCKFWQURN-UHFFFAOYSA-N
XLogP-0.09
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(6-Amino-1-benzyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxopropanenitrile
CID 2437302
6-Amino-5-[2-(azepan-1-yl)acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione
CID 2101243
3-cyclohexyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidine-2,4-dione
CID 3236283
1,3-dimethyl-6-(1-phenylethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 2926550
6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2441181
6-Amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2511610
6-Amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
CID 2119654
1,3-Dimethyl-2,4-dioxo-6-benzyl-1,2,3,4,5,6,7,8-octahydropyrimido(4,5-d)pyrimidine
CID 155675
7-amino-1-benzyl-3-ethyl-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
CID 2363691
6-Amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
CID 2091447
6-Amino-1-benzyl-3-ethyl-5-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]pyrimidine-2,4-dione
CID 2449273
6-Amino-1-benzyl-5-[2-(dimethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2568067

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 2579979) is 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CN2CCc3ccccc3C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XXFPBXCKFWQURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-19-15(18)14(16(23)20(2)17(19)24)13(22)10-21-8-7-11-5-3-4-6-12(11)9-21/h3-6H,7-10,18H2,1-2H3.
What are the key properties of 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 328.37 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2579979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).