3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine

C25H33N7 — CID 146911723

IUPAC3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine
SMILESCc1cccc(C)c1Nc1nn(C)c2c1C=NC(NC1C=C3C(=CC1)CCNC3(C)C)N2
InChIInChI=1S/C25H33N7/c1-15-7-6-8-16(2)21(15)29-22-19-14-26-24(30-23(19)32(5)31-22)28-18-10-9-17-11-12-27-25(3,4)20(17)13-18/h6-9,13-14,18,24,27-28,30H,10-12H2,1-5H3,(H,29,31)
InChIKeyMPHKRQJXUJDWJQ-UHFFFAOYSA-N
MW431.59 g/mol
LogP3.90
Rot. Bonds4

About 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine

3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine (PubChem CID 146911723) has the molecular formula C25H33N7 and a molecular weight of 431.59 g/mol. Its IUPAC name is 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine
PubChem CID146911723
Molecular FormulaC25H33N7
Molecular Weight431.59 g/mol
Exact Mass431.28
IUPAC Name3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine
SMILESCc1cccc(C)c1Nc1nn(C)c2c1C=NC(NC1C=C3C(=CC1)CCNC3(C)C)N2
InChIInChI=1S/C25H33N7/c1-15-7-6-8-16(2)21(15)29-22-19-14-26-24(30-23(19)32(5)31-22)28-18-10-9-17-11-12-27-25(3,4)20(17)13-18/h6-9,13-14,18,24,27-28,30H,10-12H2,1-5H3,(H,29,31)
InChIKeyMPHKRQJXUJDWJQ-UHFFFAOYSA-N
XLogP3.90
TPSA78.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine with MolForge

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Related Compounds

US11084824, Example 32
CID 153510993
N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678235
1-[(3-methylphenyl)methyl]-N-[(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-4-amine
CID 136028085
N-(1-Phenylpyrazol-5-YL)-N-(1-benzyl-4-piperidyl)-amine
CID 163203621
2-[(3E)-3-[1-(4,5-dihydropyrazolo[1,5-a]pyrimidin-3-yl)ethenylamino]penta-1,3-dien-2-yl]-4-[(5-ethyl-3-pyridinyl)methyl]-N-(1-fluoroethyl)aniline
CID 155424911
N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 90678236
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 136196597
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 136196715
5,15-Dimethyl-13-phenyl-1,9,11,13,14-pentazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,10,12(16),14-hexaene
CID 135433924
2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 10236852
2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 10286870
N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 10308805

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine (CID 146911723) is 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine is Cc1cccc(C)c1Nc1nn(C)c2c1C=NC(NC1C=C3C(=CC1)CCNC3(C)C)N2.
What is the InChIKey of 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine?
The InChIKey is MPHKRQJXUJDWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7/c1-15-7-6-8-16(2)21(15)29-22-19-14-26-24(30-23(19)32(5)31-22)28-18-10-9-17-11-12-27-25(3,4)20(17)13-18/h6-9,13-14,18,24,27-28,30H,10-12H2,1-5H3,(H,29,31).
What are the key properties of 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine?
3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine has a molecular weight of 431.59 g/mol, XLogP of 3.90, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-dimethylphenyl)-6-N-(1,1-dimethyl-3,4,6,7-tetrahydro-2H-isoquinolin-7-yl)-1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 146911723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).