N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

C17H19F2N5O — CID 56904775

IUPACN-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2c(F)ccc(OC)c2F)c2cnn(C)c2n1
InChIInChI=1S/C17H19F2N5O/c1-4-5-14-22-16(11-9-21-24(2)17(11)23-14)20-8-10-12(18)6-7-13(25-3)15(10)19/h6-7,9H,4-5,8H2,1-3H3,(H,20,22,23)
InChIKeyIIEFZFBHUAOUJW-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.21
Rot. Bonds6

About N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56904775) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56904775
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC NameN-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2c(F)ccc(OC)c2F)c2cnn(C)c2n1
InChIInChI=1S/C17H19F2N5O/c1-4-5-14-22-16(11-9-21-24(2)17(11)23-14)20-8-10-12(18)6-7-13(25-3)15(10)19/h6-7,9H,4-5,8H2,1-3H3,(H,20,22,23)
InChIKeyIIEFZFBHUAOUJW-UHFFFAOYSA-N
XLogP3.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
(S)-4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 76282073
Sdccggsk-0000007.P001
CID 9604943
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465
4-[3-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329466
(1E)-1-[(2-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895689
(1E)-1-[(3-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895690
(1E)-1-[(4-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895691

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56904775) is N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(NCc2c(F)ccc(OC)c2F)c2cnn(C)c2n1.
What is the InChIKey of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IIEFZFBHUAOUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c1-4-5-14-22-16(11-9-21-24(2)17(11)23-14)20-8-10-12(18)6-7-13(25-3)15(10)19/h6-7,9H,4-5,8H2,1-3H3,(H,20,22,23).
What are the key properties of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 347.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56904775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).