4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine

C19H18N4O — CID 19147484

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
SMILESNc1c(Oc2ccccc2)ncnc1N1CCc2ccccc2C1
InChIInChI=1S/C19H18N4O/c20-17-18(23-11-10-14-6-4-5-7-15(14)12-23)21-13-22-19(17)24-16-8-2-1-3-9-16/h1-9,13H,10-12,20H2
InChIKeyXPTFKXMLFQTEPV-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.41
Rot. Bonds3

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine (PubChem CID 19147484) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
PubChem CID19147484
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
SMILESNc1c(Oc2ccccc2)ncnc1N1CCc2ccccc2C1
InChIInChI=1S/C19H18N4O/c20-17-18(23-11-10-14-6-4-5-7-15(14)12-23)21-13-22-19(17)24-16-8-2-1-3-9-16/h1-9,13H,10-12,20H2
InChIKeyXPTFKXMLFQTEPV-UHFFFAOYSA-N
XLogP3.41
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19141927
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
CID 19152575
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 19147429
4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine
CID 19139509
4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 22543348
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-4,5-diamine
CID 19135043
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
2-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 22531643
4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 22543342
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine
CID 63155391

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine (CID 19147484) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine is Nc1c(Oc2ccccc2)ncnc1N1CCc2ccccc2C1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine?
The InChIKey is XPTFKXMLFQTEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c20-17-18(23-11-10-14-6-4-5-7-15(14)12-23)21-13-22-19(17)24-16-8-2-1-3-9-16/h1-9,13H,10-12,20H2.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine has a molecular weight of 318.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine is sourced from PubChem (CID 19147484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).