N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

C16H17F2N5O — CID 71886373

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2cccc(OC(F)F)c2)c2cnn(C)c2n1
InChIInChI=1S/C16H17F2N5O/c1-10-20-14(13-8-19-23(3)15(13)21-10)22(2)9-11-5-4-6-12(7-11)24-16(17)18/h4-8,16H,9H2,1-3H3
InChIKeyOGAPLDZJZVATLH-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.91
Rot. Bonds5

About N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 71886373) has the molecular formula C16H17F2N5O and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID71886373
Molecular FormulaC16H17F2N5O
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2cccc(OC(F)F)c2)c2cnn(C)c2n1
InChIInChI=1S/C16H17F2N5O/c1-10-20-14(13-8-19-23(3)15(13)21-10)22(2)9-11-5-4-6-12(7-11)24-16(17)18/h4-8,16H,9H2,1-3H3
InChIKeyOGAPLDZJZVATLH-UHFFFAOYSA-N
XLogP2.91
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 71886373) is N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1nc(N(C)Cc2cccc(OC(F)F)c2)c2cnn(C)c2n1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OGAPLDZJZVATLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O/c1-10-20-14(13-8-19-23(3)15(13)21-10)22(2)9-11-5-4-6-12(7-11)24-16(17)18/h4-8,16H,9H2,1-3H3.
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 333.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 71886373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).