6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine

C15H18N4 — CID 80767136

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(N2CCc3ccccc3C2)n1
InChIInChI=1S/C15H18N4/c1-10-14(16)17-11(2)18-15(10)19-8-7-12-5-3-4-6-13(12)9-19/h3-6H,7-9H2,1-2H3,(H2,16,17,18)
InChIKeyDDGSDUZODIFJDZ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.24
Rot. Bonds1

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine

6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 80767136) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
PubChem CID80767136
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(N2CCc3ccccc3C2)n1
InChIInChI=1S/C15H18N4/c1-10-14(16)17-11(2)18-15(10)19-8-7-12-5-3-4-6-13(12)9-19/h3-6H,7-9H2,1-2H3,(H2,16,17,18)
InChIKeyDDGSDUZODIFJDZ-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine (CID 80767136) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(N)c(C)c(N2CCc3ccccc3C2)n1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is DDGSDUZODIFJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-14(16)17-11(2)18-15(10)19-8-7-12-5-3-4-6-13(12)9-19/h3-6H,7-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80767136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).