1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H17N5O — CID 110434899

IUPAC1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(Nc3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C19H17N5O/c1-13-17-18(20-12-21-19(17)24(2)23-13)22-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21,22)
InChIKeyDSTGQOGOODLUEK-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.21
Rot. Bonds4

About 1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110434899) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110434899
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(Nc3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C19H17N5O/c1-13-17-18(20-12-21-19(17)24(2)23-13)22-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21,22)
InChIKeyDSTGQOGOODLUEK-UHFFFAOYSA-N
XLogP4.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434878
N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434946
N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434913
5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 757216
1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 155613690
5-nitro-4-N,6-N-bis(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 22538995
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
5-nitro-4-N-(4-phenoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 22531876
2-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 110434921
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951
1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431880
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 110434899) is 1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(Nc3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DSTGQOGOODLUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-17-18(20-12-21-19(17)24(2)23-13)22-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21,22).
What are the key properties of 1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110434899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).