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

C19H24N4O3 — CID 2441181

IUPAC6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN2CCc3ccccc3C2)c(=O)n(C)c1=O
InChIInChI=1S/C19H24N4O3/c1-3-9-23-17(20)16(18(25)21(2)19(23)26)15(24)12-22-10-8-13-6-4-5-7-14(13)11-22/h4-7H,3,8-12,20H2,1-2H3
InChIKeyAJSXNDVBHRGPGU-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.78
Rot. Bonds5

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

6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 2441181) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID2441181
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN2CCc3ccccc3C2)c(=O)n(C)c1=O
InChIInChI=1S/C19H24N4O3/c1-3-9-23-17(20)16(18(25)21(2)19(23)26)15(24)12-22-10-8-13-6-4-5-7-14(13)11-22/h4-7H,3,8-12,20H2,1-2H3
InChIKeyAJSXNDVBHRGPGU-UHFFFAOYSA-N
XLogP0.78
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 2441181) is 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(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]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is AJSXNDVBHRGPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-9-23-17(20)16(18(25)21(2)19(23)26)15(24)12-22-10-8-13-6-4-5-7-14(13)11-22/h4-7H,3,8-12,20H2,1-2H3.
What are the key properties of 6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 0.78, 5 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]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2441181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).