2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol

C20H26N4O3 — CID 119060057

IUPAC2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
SMILESCOc1ccc2c(c1)CCN(c1cc(C3CCOC3)nc(NCCO)n1)C2
InChIInChI=1S/C20H26N4O3/c1-26-17-3-2-15-12-24(7-4-14(15)10-17)19-11-18(16-5-9-27-13-16)22-20(23-19)21-6-8-25/h2-3,10-11,16,25H,4-9,12-13H2,1H3,(H,21,22,23)
InChIKeyJOIXDYZGBHVHED-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.96
Rot. Bonds6

About 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol

2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 119060057) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID119060057
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
SMILESCOc1ccc2c(c1)CCN(c1cc(C3CCOC3)nc(NCCO)n1)C2
InChIInChI=1S/C20H26N4O3/c1-26-17-3-2-15-12-24(7-4-14(15)10-17)19-11-18(16-5-9-27-13-16)22-20(23-19)21-6-8-25/h2-3,10-11,16,25H,4-9,12-13H2,1H3,(H,21,22,23)
InChIKeyJOIXDYZGBHVHED-UHFFFAOYSA-N
XLogP1.96
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol
CID 126452524
2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126446709
2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol
CID 126425917
2-[[4-[(3R)-oxolan-3-yl]-6-(4-propylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126424481
2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119065362
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126435809
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126451809
2-[[4-(oxolan-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119060374
cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 126444272
2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126440634
6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 91799424
2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
CID 126446619

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol (CID 119060057) is 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol is COc1ccc2c(c1)CCN(c1cc(C3CCOC3)nc(NCCO)n1)C2.
What is the InChIKey of 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is JOIXDYZGBHVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-17-3-2-15-12-24(7-4-14(15)10-17)19-11-18(16-5-9-27-13-16)22-20(23-19)21-6-8-25/h2-3,10-11,16,25H,4-9,12-13H2,1H3,(H,21,22,23).
What are the key properties of 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?
2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 370.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 119060057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).