N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide

C19H23N5O3 — CID 167977800

IUPACN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
SMILESCc1cc(CNC(=O)C(=O)N2CCc3cc(O)ccc3C2)nc(N(C)C)n1
InChIInChI=1S/C19H23N5O3/c1-12-8-15(22-19(21-12)23(2)3)10-20-17(26)18(27)24-7-6-13-9-16(25)5-4-14(13)11-24/h4-5,8-9,25H,6-7,10-11H2,1-3H3,(H,20,26)
InChIKeyIUDXLVICNQSKMH-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.76
Rot. Bonds3

About N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide (PubChem CID 167977800) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
PubChem CID167977800
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
SMILESCc1cc(CNC(=O)C(=O)N2CCc3cc(O)ccc3C2)nc(N(C)C)n1
InChIInChI=1S/C19H23N5O3/c1-12-8-15(22-19(21-12)23(2)3)10-20-17(26)18(27)24-7-6-13-9-16(25)5-4-14(13)11-24/h4-5,8-9,25H,6-7,10-11H2,1-3H3,(H,20,26)
InChIKeyIUDXLVICNQSKMH-UHFFFAOYSA-N
XLogP0.76
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
The IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide (CID 167977800) is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide is Cc1cc(CNC(=O)C(=O)N2CCc3cc(O)ccc3C2)nc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
The InChIKey is IUDXLVICNQSKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-8-15(22-19(21-12)23(2)3)10-20-17(26)18(27)24-7-6-13-9-16(25)5-4-14(13)11-24/h4-5,8-9,25H,6-7,10-11H2,1-3H3,(H,20,26).
What are the key properties of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide?
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide has a molecular weight of 369.43 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide is sourced from PubChem (CID 167977800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).