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

C15H16FN5 — CID 80726304

IUPAC1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(C)nc2c1cnn2-c1ccccc1F
InChIInChI=1S/C15H16FN5/c1-3-8-17-14-11-9-18-21(15(11)20-10(2)19-14)13-7-5-4-6-12(13)16/h4-7,9H,3,8H2,1-2H3,(H,17,19,20)
InChIKeyWHGTWKJBBCTNIH-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.08
Rot. Bonds4

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

1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 80726304) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID80726304
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(C)nc2c1cnn2-c1ccccc1F
InChIInChI=1S/C15H16FN5/c1-3-8-17-14-11-9-18-21(15(11)20-10(2)19-14)13-7-5-4-6-12(13)16/h4-7,9H,3,8H2,1-2H3,(H,17,19,20)
InChIKeyWHGTWKJBBCTNIH-UHFFFAOYSA-N
XLogP3.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80725826
6-methyl-1-(4-methyl-2-pyridinyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726200
N-ethyl-1-(4-fluoro-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726494
N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 110432057
N-[[4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)oxetan-2-yl]methyl]-1-(2-fluorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 71195879
N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 110432089
1-(2-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432093
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72889142
4-chloro-1-(2-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
CID 170093134
2-[6-methyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol
CID 80726594
1-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432065
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432056

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 80726304) is 1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1nc(C)nc2c1cnn2-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WHGTWKJBBCTNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-3-8-17-14-11-9-18-21(15(11)20-10(2)19-14)13-7-5-4-6-12(13)16/h4-7,9H,3,8H2,1-2H3,(H,17,19,20).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80726304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).