6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine

C22H24N4 — CID 112873848

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2cc(N3CCc4ccccc4C3)nc(C)n2)c1
InChIInChI=1S/C22H24N4/c1-15-10-16(2)12-20(11-15)25-21-13-22(24-17(3)23-21)26-9-8-18-6-4-5-7-19(18)14-26/h4-7,10-13H,8-9,14H2,1-3H3,(H,23,24,25)
InChIKeyMCGLFBIGAZGFGV-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.71
Rot. Bonds3

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

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine (PubChem CID 112873848) 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)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine
PubChem CID112873848
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2cc(N3CCc4ccccc4C3)nc(C)n2)c1
InChIInChI=1S/C22H24N4/c1-15-10-16(2)12-20(11-15)25-21-13-22(24-17(3)23-21)26-9-8-18-6-4-5-7-19(18)14-26/h4-7,10-13H,8-9,14H2,1-3H3,(H,23,24,25)
InChIKeyMCGLFBIGAZGFGV-UHFFFAOYSA-N
XLogP4.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine with MolForge

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Related Compounds

Revaprazan
CID 204104
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 11963546
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
Revaprazan Hydrochloride
CID 204103
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
CID 146018719
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine
CID 865238
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine (CID 112873848) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine is Cc1cc(C)cc(Nc2cc(N3CCc4ccccc4C3)nc(C)n2)c1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is MCGLFBIGAZGFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-15-10-16(2)12-20(11-15)25-21-13-22(24-17(3)23-21)26-9-8-18-6-4-5-7-19(18)14-26/h4-7,10-13H,8-9,14H2,1-3H3,(H,23,24,25).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 4.71, 3 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)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112873848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).