N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine

C16H19N5 — CID 95129741

IUPACN,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccccc1[C@@H](C)N(C)c1ncnc2c1cnn2C
InChIInChI=1S/C16H19N5/c1-11-7-5-6-8-13(11)12(2)20(3)15-14-9-19-21(4)16(14)18-10-17-15/h5-10,12H,1-4H3/t12-/m1/s1
InChIKeyMEBHBNPZIRSVNJ-GFCCVEGCSA-N
MW281.36 g/mol
LogP2.87
Rot. Bonds3

About N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 95129741) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID95129741
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccccc1[C@@H](C)N(C)c1ncnc2c1cnn2C
InChIInChI=1S/C16H19N5/c1-11-7-5-6-8-13(11)12(2)20(3)15-14-9-19-21(4)16(14)18-10-17-15/h5-10,12H,1-4H3/t12-/m1/s1
InChIKeyMEBHBNPZIRSVNJ-GFCCVEGCSA-N
XLogP2.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435
2-N-methyl-2-N-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83837840
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95136191
N-cycloheptyl-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 47159325
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 167919498
N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 61013957
N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 26019686
3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile
CID 62980884
N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 102637671
3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol
CID 63205559
N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 42887319
1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 163990677

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 95129741) is N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccccc1[C@@H](C)N(C)c1ncnc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is MEBHBNPZIRSVNJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-7-5-6-8-13(11)12(2)20(3)15-14-9-19-21(4)16(14)18-10-17-15/h5-10,12H,1-4H3/t12-/m1/s1.
What are the key properties of N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95129741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).