N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine

C19H26N6 — CID 56897861

IUPACN,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1nc(CCc2ccccc2)nc2c1cnn2C
InChIInChI=1S/C19H26N6/c1-23(2)12-13-24(3)18-16-14-20-25(4)19(16)22-17(21-18)11-10-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3
InChIKeyYJDHVLPSIJENKB-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.15
Rot. Bonds7

About N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 56897861) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID56897861
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1nc(CCc2ccccc2)nc2c1cnn2C
InChIInChI=1S/C19H26N6/c1-23(2)12-13-24(3)18-16-14-20-25(4)19(16)22-17(21-18)11-10-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3
InChIKeyYJDHVLPSIJENKB-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
CID 56912583
(2R)-1-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butan-2-ol
CID 95717447
(2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide
CID 56901945
(2S)-3-methyl-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]butanamide
CID 56913030
N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56911177
N,1-dimethyl-N-[2-(1H-pyrazol-4-yl)ethyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56909967
6-(benzylsulfanylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221171
N,N,N'-trimethyl-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine
CID 56670000
6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 118671232
N,1-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine
CID 70744266
6-N-[2-(dimethylamino)ethyl]-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795105
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56900481

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine (CID 56897861) is N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine is CN(C)CCN(C)c1nc(CCc2ccccc2)nc2c1cnn2C.
What is the InChIKey of N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is YJDHVLPSIJENKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-23(2)12-13-24(3)18-16-14-20-25(4)19(16)22-17(21-18)11-10-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 338.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[1-methyl-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 56897861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).