N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine

C16H19N5O — CID 26019686

IUPACN,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc(OCCN(C)c2ncnc3c2cnn3C)c1
InChIInChI=1S/C16H19N5O/c1-12-5-4-6-13(9-12)22-8-7-20(2)15-14-10-19-21(3)16(14)18-11-17-15/h4-6,9-11H,7-8H2,1-3H3
InChIKeyCFZJNRZIGQENFF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.19
Rot. Bonds5

About N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 26019686) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID26019686
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc(OCCN(C)c2ncnc3c2cnn3C)c1
InChIInChI=1S/C16H19N5O/c1-12-5-4-6-13(9-12)22-8-7-20(2)15-14-10-19-21(3)16(14)18-11-17-15/h4-6,9-11H,7-8H2,1-3H3
InChIKeyCFZJNRZIGQENFF-UHFFFAOYSA-N
XLogP2.19
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774130
1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17453140
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 167919498
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95136191
N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 78845383
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489848
3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile
CID 62980884
4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile
CID 26448932
N-methyl-1-(3-methylphenyl)-N-(2-pyridin-1-ium-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 4048845
N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine
CID 112843843
N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
CID 26448919
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 86776236

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 26019686) is N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine is Cc1cccc(OCCN(C)c2ncnc3c2cnn3C)c1.
What is the InChIKey of N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is CFZJNRZIGQENFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-5-4-6-13(9-12)22-8-7-20(2)15-14-10-19-21(3)16(14)18-11-17-15/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 297.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 26019686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).