[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C24H24N4O — CID 112852741

IUPAC[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(N2CCc3ccccc3C2)nc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C24H24N4O/c29-24(27-13-6-7-14-27)21-16-22(26-23(25-21)19-9-2-1-3-10-19)28-15-12-18-8-4-5-11-20(18)17-28/h1-5,8-11,16H,6-7,12-15,17H2
InChIKeyUZRDXXBTBUNOMM-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.94
Rot. Bonds3

About [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 112852741) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID112852741
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(N2CCc3ccccc3C2)nc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C24H24N4O/c29-24(27-13-6-7-14-27)21-16-22(26-23(25-21)19-9-2-1-3-10-19)28-15-12-18-8-4-5-11-20(18)17-28/h1-5,8-11,16H,6-7,12-15,17H2
InChIKeyUZRDXXBTBUNOMM-UHFFFAOYSA-N
XLogP3.94
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852970
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
2-[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112880942
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852964
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109121734
[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225533
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine
CID 112879207
(4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone
CID 112853850
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109350750

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 112852741) is [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(N2CCc3ccccc3C2)nc(-c2ccccc2)n1)N1CCCC1.
What is the InChIKey of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UZRDXXBTBUNOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24(27-13-6-7-14-27)21-16-22(26-23(25-21)19-9-2-1-3-10-19)28-15-12-18-8-4-5-11-20(18)17-28/h1-5,8-11,16H,6-7,12-15,17H2.
What are the key properties of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 384.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 112852741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).