1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine

C15H21N7 — CID 95872622

IUPAC1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(N[C@H](c3nccn3C)C(C)C)c12
InChIInChI=1S/C15H21N7/c1-9(2)12(15-16-6-7-21(15)4)19-13-11-10(3)20-22(5)14(11)18-8-17-13/h6-9,12H,1-5H3,(H,17,18,19)/t12-/m0/s1
InChIKeyPIGBRHAENAPYEU-LBPRGKRZSA-N
MW299.38 g/mol
LogP2.21
Rot. Bonds4

About 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95872622) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95872622
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(N[C@H](c3nccn3C)C(C)C)c12
InChIInChI=1S/C15H21N7/c1-9(2)12(15-16-6-7-21(15)4)19-13-11-10(3)20-22(5)14(11)18-8-17-13/h6-9,12H,1-5H3,(H,17,18,19)/t12-/m0/s1
InChIKeyPIGBRHAENAPYEU-LBPRGKRZSA-N
XLogP2.21
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431880
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951
5-methyl-4-[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 95215051
N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434913
3-bromo-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 99803881
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431937
N-(4-bromophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434878
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 110431927
4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
CID 13125572
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
CID 166406040

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95872622) is 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(N[C@H](c3nccn3C)C(C)C)c12.
What is the InChIKey of 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PIGBRHAENAPYEU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N7/c1-9(2)12(15-16-6-7-21(15)4)19-13-11-10(3)20-22(5)14(11)18-8-17-13/h6-9,12H,1-5H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95872622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).