6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid

C20H23N5O4 — CID 68516643

IUPAC6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(NCC(=O)N2CCc3ccccc3C2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H23N5O4/c26-18(25-6-5-14-3-1-2-4-15(14)13-25)12-21-17-11-16(19(27)28)22-20(23-17)24-7-9-29-10-8-24/h1-4,11H,5-10,12-13H2,(H,27,28)(H,21,22,23)
InChIKeyFZUHLRDLUOCGCF-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.01
Rot. Bonds5

About 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid

6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid (PubChem CID 68516643) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
PubChem CID68516643
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(NCC(=O)N2CCc3ccccc3C2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H23N5O4/c26-18(25-6-5-14-3-1-2-4-15(14)13-25)12-21-17-11-16(19(27)28)22-20(23-17)24-7-9-29-10-8-24/h1-4,11H,5-10,12-13H2,(H,27,28)(H,21,22,23)
InChIKeyFZUHLRDLUOCGCF-UHFFFAOYSA-N
XLogP1.01
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 68517206
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)ethanone
CID 55345468
6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 118552538
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 118552536
2-(2,4-difluoroanilino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 109000108
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-phenylacetamide
CID 2567857
1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-naphthalen-1-ylethanone
CID 86264700
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365362
(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018229
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)ethanone
CID 55346901
(2R)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 83194342

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid (CID 68516643) is 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid is O=C(O)c1cc(NCC(=O)N2CCc3ccccc3C2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
The InChIKey is FZUHLRDLUOCGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c26-18(25-6-5-14-3-1-2-4-15(14)13-25)12-21-17-11-16(19(27)28)22-20(23-17)24-7-9-29-10-8-24/h1-4,11H,5-10,12-13H2,(H,27,28)(H,21,22,23).
What are the key properties of 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid?
6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid has a molecular weight of 397.44 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 68516643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).