2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H11Cl2N5O — CID 110171339

IUPAC2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccco2)nc2nn(Cc3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C16H11Cl2N5O/c17-11-3-1-4-12(18)9(11)7-23-8-10-14(19)20-16(21-15(10)22-23)13-5-2-6-24-13/h1-6,8H,7H2,(H2,19,20,21,22)
InChIKeyJQDSQSYQWNFSFX-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.02
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110171339) has the molecular formula C16H11Cl2N5O and a molecular weight of 360.20 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110171339
Molecular FormulaC16H11Cl2N5O
Molecular Weight360.20 g/mol
Exact Mass359.03
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccco2)nc2nn(Cc3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C16H11Cl2N5O/c17-11-3-1-4-12(18)9(11)7-23-8-10-14(19)20-16(21-15(10)22-23)13-5-2-6-24-13/h1-6,8H,7H2,(H2,19,20,21,22)
InChIKeyJQDSQSYQWNFSFX-UHFFFAOYSA-N
XLogP4.02
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171351
2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171172
2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127047851
2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110171350
4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide
CID 142609116
6-(azepan-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 90668272
4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]ethyl]phenol
CID 21220573
2-(furan-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62201956
[2-chloro-6-(furan-2-yl)phenyl]methanamine
CID 174613355
4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene
CID 10706855
11-butyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene
CID 10493146
4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]ethyl]benzene-1,2-diol
CID 21220583

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 110171339) is 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccco2)nc2nn(Cc3c(Cl)cccc3Cl)cc12.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JQDSQSYQWNFSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O/c17-11-3-1-4-12(18)9(11)7-23-8-10-14(19)20-16(21-15(10)22-23)13-5-2-6-24-13/h1-6,8H,7H2,(H2,19,20,21,22).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 360.20 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110171339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).