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

C15H18N4 — CID 80767534

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C15H18N4/c1-11-9-14(18-15(16-2)17-11)19-8-7-12-5-3-4-6-13(12)10-19/h3-6,9H,7-8,10H2,1-2H3,(H,16,17,18)
InChIKeySHYDXGQTNDXDBP-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.39
Rot. Bonds2

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

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80767534) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine
PubChem CID80767534
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C15H18N4/c1-11-9-14(18-15(16-2)17-11)19-8-7-12-5-3-4-6-13(12)10-19/h3-6,9H,7-8,10H2,1-2H3,(H,16,17,18)
InChIKeySHYDXGQTNDXDBP-UHFFFAOYSA-N
XLogP2.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine (CID 80767534) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is SHYDXGQTNDXDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-9-14(18-15(16-2)17-11)19-8-7-12-5-3-4-6-13(12)10-19/h3-6,9H,7-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80767534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).