(1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

C16H22N6S — CID 95724905

IUPAC(1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1nc(NC[C@H](c2sccc2C)N(C)C)c2cnn(C)c2n1
InChIInChI=1S/C16H22N6S/c1-10-6-7-23-14(10)13(21(3)4)9-17-15-12-8-18-22(5)16(12)20-11(2)19-15/h6-8,13H,9H2,1-5H3,(H,17,19,20)/t13-/m1/s1
InChIKeyHOUDDKCIMNDYIO-CYBMUJFWSA-N
MW330.46 g/mol
LogP2.76
Rot. Bonds5

About (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

(1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 95724905) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID95724905
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC Name(1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCc1nc(NC[C@H](c2sccc2C)N(C)C)c2cnn(C)c2n1
InChIInChI=1S/C16H22N6S/c1-10-6-7-23-14(10)13(21(3)4)9-17-15-12-8-18-22(5)16(12)20-11(2)19-15/h6-8,13H,9H2,1-5H3,(H,17,19,20)/t13-/m1/s1
InChIKeyHOUDDKCIMNDYIO-CYBMUJFWSA-N
XLogP2.76
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine with MolForge

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Related Compounds

(2S)-1-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 95729205
1,6-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 166185839
(1R)-N,N-dimethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-thiophen-3-ylethane-1,2-diamine
CID 34004018
(2R)-1-(4-chloro-3-methylphenoxy)-3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95709764
N-(3,3-dichloroprop-2-enyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 138019388
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 94519626
1,6-dimethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72877661
4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
CID 138023130
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72889142
N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide
CID 95127765
1,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72853746
4-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1-propan-2-ylpyrrolidin-2-one
CID 56890103

Frequently Asked Questions

What is the IUPAC name of (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (CID 95724905) is (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is Cc1nc(NC[C@H](c2sccc2C)N(C)C)c2cnn(C)c2n1.
What is the InChIKey of (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is HOUDDKCIMNDYIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N6S/c1-10-6-7-23-14(10)13(21(3)4)9-17-15-12-8-18-22(5)16(12)20-11(2)19-15/h6-8,13H,9H2,1-5H3,(H,17,19,20)/t13-/m1/s1.
What are the key properties of (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
(1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 330.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 95724905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).