4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine

C17H22N6 — CID 68776500

IUPAC4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCc1nn(C)c2nc(N)nc(N(CC)c3ccccc3C)c12
InChIInChI=1S/C17H22N6/c1-5-12-14-15(22(4)21-12)19-17(18)20-16(14)23(6-2)13-10-8-7-9-11(13)3/h7-10H,5-6H2,1-4H3,(H2,18,19,20)
InChIKeyBSAQKARHQPGVSM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.97
Rot. Bonds4

About 4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 68776500) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID68776500
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCc1nn(C)c2nc(N)nc(N(CC)c3ccccc3C)c12
InChIInChI=1S/C17H22N6/c1-5-12-14-15(22(4)21-12)19-17(18)20-16(14)23(6-2)13-10-8-7-9-11(13)3/h7-10H,5-6H2,1-4H3,(H2,18,19,20)
InChIKeyBSAQKARHQPGVSM-UHFFFAOYSA-N
XLogP2.97
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 68776500) is 4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine is CCc1nn(C)c2nc(N)nc(N(CC)c3ccccc3C)c12.
What is the InChIKey of 4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is BSAQKARHQPGVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-5-12-14-15(22(4)21-12)19-17(18)20-16(14)23(6-2)13-10-8-7-9-11(13)3/h7-10H,5-6H2,1-4H3,(H2,18,19,20).
What are the key properties of 4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 310.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 68776500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).