4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine

C12H16N8 — CID 166260497

IUPAC4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCN(Cc1ccn(C)n1)c1nc(N)nc2c1cnn2C
InChIInChI=1S/C12H16N8/c1-18(7-8-4-5-19(2)17-8)10-9-6-14-20(3)11(9)16-12(13)15-10/h4-6H,7H2,1-3H3,(H2,13,15,16)
InChIKeyQIBYGSDJQLHAJE-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.32
Rot. Bonds3

About 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 166260497) has the molecular formula C12H16N8 and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID166260497
Molecular FormulaC12H16N8
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCN(Cc1ccn(C)n1)c1nc(N)nc2c1cnn2C
InChIInChI=1S/C12H16N8/c1-18(7-8-4-5-19(2)17-8)10-9-6-14-20(3)11(9)16-12(13)15-10/h4-6H,7H2,1-3H3,(H2,13,15,16)
InChIKeyQIBYGSDJQLHAJE-UHFFFAOYSA-N
XLogP0.32
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 165433761
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine
CID 82415128
N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 166260521
N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine
CID 70744266
N-[(6-chloro-3-pyridinyl)methyl]-N,1-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56884726
6-tert-butyl-N,1-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 56900692
N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 71886373
N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 56897861
N,1-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 70748206
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 86776236
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56916306

Frequently Asked Questions

What is the IUPAC name of 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 166260497) is 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine is CN(Cc1ccn(C)n1)c1nc(N)nc2c1cnn2C.
What is the InChIKey of 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is QIBYGSDJQLHAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8/c1-18(7-8-4-5-19(2)17-8)10-9-6-14-20(3)11(9)16-12(13)15-10/h4-6H,7H2,1-3H3,(H2,13,15,16).
What are the key properties of 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 272.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,1-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 166260497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).