1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H18FN5O — CID 110432015

IUPAC1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(-c2cccc(F)c2)c2ncnc(NCC3CCCO3)c12
InChIInChI=1S/C17H18FN5O/c1-11-15-16(19-9-14-6-3-7-24-14)20-10-21-17(15)23(22-11)13-5-2-4-12(18)8-13/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H,19,20,21)
InChIKeyBSYRZLHYZMFTSP-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.85
Rot. Bonds4

About 1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110432015) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110432015
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(-c2cccc(F)c2)c2ncnc(NCC3CCCO3)c12
InChIInChI=1S/C17H18FN5O/c1-11-15-16(19-9-14-6-3-7-24-14)20-10-21-17(15)23(22-11)13-5-2-4-12(18)8-13/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H,19,20,21)
InChIKeyBSYRZLHYZMFTSP-UHFFFAOYSA-N
XLogP2.85
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432005
1-(3,4-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476206
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922530
8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 3553984
4-(4-chlorophenyl)-2-(3-fluorophenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93297361
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806151
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7424134
6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 50830645
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9211901
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 110432015) is 1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(-c2cccc(F)c2)c2ncnc(NCC3CCCO3)c12.
What is the InChIKey of 1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BSYRZLHYZMFTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-11-15-16(19-9-14-6-3-7-24-14)20-10-21-17(15)23(22-11)13-5-2-4-12(18)8-13/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H,19,20,21).
What are the key properties of 1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 327.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110432015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).