2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol

C15H19N5O — CID 136516423

IUPAC2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCc1nc(N(C)C)nc(N2CCc3ccc(O)cc3C2)n1
InChIInChI=1S/C15H19N5O/c1-10-16-14(19(2)3)18-15(17-10)20-7-6-11-4-5-13(21)8-12(11)9-20/h4-5,8,21H,6-7,9H2,1-3H3
InChIKeyNFHPKWINPXDHOL-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.51
Rot. Bonds2

About 2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol

2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 136516423) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID136516423
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCc1nc(N(C)C)nc(N2CCc3ccc(O)cc3C2)n1
InChIInChI=1S/C15H19N5O/c1-10-16-14(19(2)3)18-15(17-10)20-7-6-11-4-5-13(21)8-12(11)9-20/h4-5,8,21H,6-7,9H2,1-3H3
InChIKeyNFHPKWINPXDHOL-UHFFFAOYSA-N
XLogP1.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol (CID 136516423) is 2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol is Cc1nc(N(C)C)nc(N2CCc3ccc(O)cc3C2)n1.
What is the InChIKey of 2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is NFHPKWINPXDHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-16-14(19(2)3)18-15(17-10)20-7-6-11-4-5-13(21)8-12(11)9-20/h4-5,8,21H,6-7,9H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol?
2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 285.35 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 136516423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).