1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride

C19H19ClN6 — CID 163331024

IUPAC1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
SMILESCc1ccccc1Nc1nc(Nc2ccccc2)nc2c1cnn2C.Cl
InChIInChI=1S/C19H18N6.ClH/c1-13-8-6-7-11-16(13)22-17-15-12-20-25(2)18(15)24-19(23-17)21-14-9-4-3-5-10-14;/h3-12H,1-2H3,(H2,21,22,23,24);1H
InChIKeyRRUVNMGRVCETOV-UHFFFAOYSA-N
MW366.86 g/mol
LogP4.58
Rot. Bonds4

About 1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride

1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride (PubChem CID 163331024) has the molecular formula C19H19ClN6 and a molecular weight of 366.86 g/mol. Its IUPAC name is 1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
PubChem CID163331024
Molecular FormulaC19H19ClN6
Molecular Weight366.86 g/mol
Exact Mass366.14
IUPAC Name1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
SMILESCc1ccccc1Nc1nc(Nc2ccccc2)nc2c1cnn2C.Cl
InChIInChI=1S/C19H18N6.ClH/c1-13-8-6-7-11-16(13)22-17-15-12-20-25(2)18(15)24-19(23-17)21-14-9-4-3-5-10-14;/h3-12H,1-2H3,(H2,21,22,23,24);1H
InChIKeyRRUVNMGRVCETOV-UHFFFAOYSA-N
XLogP4.58
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3,4-dimethylphenyl)-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545365
6-N-(4-chlorophenyl)-4-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 163335716
4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27486830
6-N-[(2-fluorophenyl)methyl]-1-methyl-4-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 25191919
6-N-(3-chlorophenyl)-4-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7162513
6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795105
1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7162546
4-N-(3-chlorophenyl)-6-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545698
4-N-benzyl-6-N-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8547337
4-N-benzyl-6-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8547026
1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7162562
5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
The IUPAC name of 1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride (CID 163331024) is 1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride.
What is the SMILES notation for 1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
The canonical SMILES for 1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride is Cc1ccccc1Nc1nc(Nc2ccccc2)nc2c1cnn2C.Cl.
What is the InChIKey of 1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
The InChIKey is RRUVNMGRVCETOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6.ClH/c1-13-8-6-7-11-16(13)22-17-15-12-20-25(2)18(15)24-19(23-17)21-14-9-4-3-5-10-14;/h3-12H,1-2H3,(H2,21,22,23,24);1H.
What are the key properties of 1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride is sourced from PubChem (CID 163331024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).