2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine

C15H16Cl2N4 — CID 133383678

IUPAC2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCc3c(Cl)cc(Cl)cc3C2)n1
InChIInChI=1S/C15H16Cl2N4/c1-20(2)14-3-5-18-15(19-14)21-6-4-12-10(9-21)7-11(16)8-13(12)17/h3,5,7-8H,4,6,9H2,1-2H3
InChIKeyCLJIEAAKVONDMD-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.41
Rot. Bonds2

About 2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine

2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine (PubChem CID 133383678) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine
PubChem CID133383678
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCc3c(Cl)cc(Cl)cc3C2)n1
InChIInChI=1S/C15H16Cl2N4/c1-20(2)14-3-5-18-15(19-14)21-6-4-12-10(9-21)7-11(16)8-13(12)17/h3,5,7-8H,4,6,9H2,1-2H3
InChIKeyCLJIEAAKVONDMD-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine (CID 133383678) is 2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine is CN(C)c1ccnc(N2CCc3c(Cl)cc(Cl)cc3C2)n1.
What is the InChIKey of 2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine?
The InChIKey is CLJIEAAKVONDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c1-20(2)14-3-5-18-15(19-14)21-6-4-12-10(9-21)7-11(16)8-13(12)17/h3,5,7-8H,4,6,9H2,1-2H3.
What are the key properties of 2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine?
2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine has a molecular weight of 323.23 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133383678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).