N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H19N7 — CID 86808280

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)C)c(C)c1Nc1ncnc2c1cnn2C
InChIInChI=1S/C14H19N7/c1-8(2)21-10(4)12(9(3)19-21)18-13-11-6-17-20(5)14(11)16-7-15-13/h6-8H,1-5H3,(H,15,16,18)
InChIKeyLOKCAAHXLQQVQX-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.50
Rot. Bonds3

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86808280) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86808280
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)C)c(C)c1Nc1ncnc2c1cnn2C
InChIInChI=1S/C14H19N7/c1-8(2)21-10(4)12(9(3)19-21)18-13-11-6-17-20(5)14(11)16-7-15-13/h6-8H,1-5H3,(H,15,16,18)
InChIKeyLOKCAAHXLQQVQX-UHFFFAOYSA-N
XLogP2.50
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine 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

1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091
N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110875096
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43543834
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione
CID 4902145
1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115637656
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-phenylbenzene-1,2-diamine
CID 4975424
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
N-(4-chloro-2-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434831
1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 86808280) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C(C)C)c(C)c1Nc1ncnc2c1cnn2C.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LOKCAAHXLQQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-8(2)21-10(4)12(9(3)19-21)18-13-11-6-17-20(5)14(11)16-7-15-13/h6-8H,1-5H3,(H,15,16,18).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86808280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).