4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine

C17H20N4O — CID 112886562

IUPAC4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
SMILESc1ccc2c(c1)CCN(c1ccnc(N3CCOCC3)n1)C2
InChIInChI=1S/C17H20N4O/c1-2-4-15-13-21(8-6-14(15)3-1)16-5-7-18-17(19-16)20-9-11-22-12-10-20/h1-5,7H,6,8-13H2
InChIKeyXHTXSEXTPBQKOG-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.88
Rot. Bonds2

About 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine

4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 112886562) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
PubChem CID112886562
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
SMILESc1ccc2c(c1)CCN(c1ccnc(N3CCOCC3)n1)C2
InChIInChI=1S/C17H20N4O/c1-2-4-15-13-21(8-6-14(15)3-1)16-5-7-18-17(19-16)20-9-11-22-12-10-20/h1-5,7H,6,8-13H2
InChIKeyXHTXSEXTPBQKOG-UHFFFAOYSA-N
XLogP1.88
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112894346
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
2-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920315
2-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894230
4-[4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]morpholine
CID 112886644
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
2-[4-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 31535193
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpyrimidin-2-amine
CID 112894232

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine (CID 112886562) is 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine is c1ccc2c(c1)CCN(c1ccnc(N3CCOCC3)n1)C2.
What is the InChIKey of 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is XHTXSEXTPBQKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-4-15-13-21(8-6-14(15)3-1)16-5-7-18-17(19-16)20-9-11-22-12-10-20/h1-5,7H,6,8-13H2.
What are the key properties of 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine?
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 296.37 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 112886562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).