6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine

C22H24N4 — CID 112879207

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCc3ccccc3C2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4/c1-2-13-23-20-15-21(25-22(24-20)18-9-4-3-5-10-18)26-14-12-17-8-6-7-11-19(17)16-26/h3-11,15H,2,12-14,16H2,1H3,(H,23,24,25)
InChIKeyREBVAMILKKQBRE-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.53
Rot. Bonds5

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine

6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine (PubChem CID 112879207) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine
PubChem CID112879207
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCc3ccccc3C2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4/c1-2-13-23-20-15-21(25-22(24-20)18-9-4-3-5-10-18)26-14-12-17-8-6-7-11-19(17)16-26/h3-11,15H,2,12-14,16H2,1H3,(H,23,24,25)
InChIKeyREBVAMILKKQBRE-UHFFFAOYSA-N
XLogP4.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112881416
2-[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112880942
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 80767695
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870536
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine
CID 80823221
N-butyl-2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-amine;carbon dioxide
CID 160847697
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 112934865
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
N-tert-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873827

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine (CID 112879207) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCc3ccccc3C2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine?
The InChIKey is REBVAMILKKQBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-13-23-20-15-21(25-22(24-20)18-9-4-3-5-10-18)26-14-12-17-8-6-7-11-19(17)16-26/h3-11,15H,2,12-14,16H2,1H3,(H,23,24,25).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 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-phenyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 112879207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).