4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one

C15H18N4O2 — CID 136979469

IUPAC4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCc3ccccc3C2CN)nc[nH]c1=O
InChIInChI=1S/C15H18N4O2/c1-21-13-14(17-9-18-15(13)20)19-7-6-10-4-2-3-5-11(10)12(19)8-16/h2-5,9,12H,6-8,16H2,1H3,(H,17,18,20)
InChIKeyQDPUSEFOZJAUQC-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.84
Rot. Bonds3

About 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one

4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979469) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979469
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCc3ccccc3C2CN)nc[nH]c1=O
InChIInChI=1S/C15H18N4O2/c1-21-13-14(17-9-18-15(13)20)19-7-6-10-4-2-3-5-11(10)12(19)8-16/h2-5,9,12H,6-8,16H2,1H3,(H,17,18,20)
InChIKeyQDPUSEFOZJAUQC-UHFFFAOYSA-N
XLogP0.84
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136979469) is 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCc3ccccc3C2CN)nc[nH]c1=O.
What is the InChIKey of 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QDPUSEFOZJAUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-13-14(17-9-18-15(13)20)19-7-6-10-4-2-3-5-11(10)12(19)8-16/h2-5,9,12H,6-8,16H2,1H3,(H,17,18,20).
What are the key properties of 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 286.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).