6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

C21H31N7 — CID 143765775

IUPAC6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCCN(CC)CCNc1nc(NCc2ccc(C)cc2)c2cnn(C)c2n1
InChIInChI=1S/C21H31N7/c1-5-12-28(6-2)13-11-22-21-25-19(18-15-24-27(4)20(18)26-21)23-14-17-9-7-16(3)8-10-17/h7-10,15H,5-6,11-14H2,1-4H3,(H2,22,23,25,26)
InChIKeyQCVNNQDNBQGTAJ-UHFFFAOYSA-N
MW381.53 g/mol
LogP3.43
Rot. Bonds10

About 6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 143765775) has the molecular formula C21H31N7 and a molecular weight of 381.53 g/mol. Its IUPAC name is 6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID143765775
Molecular FormulaC21H31N7
Molecular Weight381.53 g/mol
Exact Mass381.26
IUPAC Name6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCCN(CC)CCNc1nc(NCc2ccc(C)cc2)c2cnn(C)c2n1
InChIInChI=1S/C21H31N7/c1-5-12-28(6-2)13-11-22-21-25-19(18-15-24-27(4)20(18)26-21)23-14-17-9-7-16(3)8-10-17/h7-10,15H,5-6,11-14H2,1-4H3,(H2,22,23,25,26)
InChIKeyQCVNNQDNBQGTAJ-UHFFFAOYSA-N
XLogP3.43
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 143765775) is 6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine is CCCN(CC)CCNc1nc(NCc2ccc(C)cc2)c2cnn(C)c2n1.
What is the InChIKey of 6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is QCVNNQDNBQGTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7/c1-5-12-28(6-2)13-11-22-21-25-19(18-15-24-27(4)20(18)26-21)23-14-17-9-7-16(3)8-10-17/h7-10,15H,5-6,11-14H2,1-4H3,(H2,22,23,25,26).
What are the key properties of 6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 381.53 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 143765775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).