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

C16H21ClN6 — CID 146059619

IUPAC6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
SMILESCc1ccc(CNc2nc(N(C)C)nc3c2cnn3C)cc1.Cl
InChIInChI=1S/C16H20N6.ClH/c1-11-5-7-12(8-6-11)9-17-14-13-10-18-22(4)15(13)20-16(19-14)21(2)3;/h5-8,10H,9H2,1-4H3,(H,17,19,20);1H
InChIKeyYHGPCOSLMKTGFO-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.77
Rot. Bonds4

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

6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride (PubChem CID 146059619) has the molecular formula C16H21ClN6 and a molecular weight of 332.84 g/mol. Its IUPAC name is 6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
PubChem CID146059619
Molecular FormulaC16H21ClN6
Molecular Weight332.84 g/mol
Exact Mass332.15
IUPAC Name6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
SMILESCc1ccc(CNc2nc(N(C)C)nc3c2cnn3C)cc1.Cl
InChIInChI=1S/C16H20N6.ClH/c1-11-5-7-12(8-6-11)9-17-14-13-10-18-22(4)15(13)20-16(19-14)21(2)3;/h5-8,10H,9H2,1-4H3,(H,17,19,20);1H
InChIKeyYHGPCOSLMKTGFO-UHFFFAOYSA-N
XLogP2.77
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
The IUPAC name of 6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride (CID 146059619) is 6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride.
What is the SMILES notation for 6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
The canonical SMILES for 6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride is Cc1ccc(CNc2nc(N(C)C)nc3c2cnn3C)cc1.Cl.
What is the InChIKey of 6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
The InChIKey is YHGPCOSLMKTGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6.ClH/c1-11-5-7-12(8-6-11)9-17-14-13-10-18-22(4)15(13)20-16(19-14)21(2)3;/h5-8,10H,9H2,1-4H3,(H,17,19,20);1H.
What are the key properties of 6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride?
6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride has a molecular weight of 332.84 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride is sourced from PubChem (CID 146059619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).