N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H16ClN5 — CID 4138917

IUPACN-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)c(C)c1
InChIInChI=1S/C19H16ClN5/c1-12-6-7-17(13(2)8-12)25-19-16(10-23-25)18(21-11-22-19)24-15-5-3-4-14(20)9-15/h3-11H,1-2H3,(H,21,22,24)
InChIKeyDQXPZXWVIMUDAF-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.83
Rot. Bonds3

About N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 4138917) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID4138917
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC NameN-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)c(C)c1
InChIInChI=1S/C19H16ClN5/c1-12-6-7-17(13(2)8-12)25-19-16(10-23-25)18(21-11-22-19)24-15-5-3-4-14(20)9-15/h3-11H,1-2H3,(H,21,22,24)
InChIKeyDQXPZXWVIMUDAF-UHFFFAOYSA-N
XLogP4.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 8
CID 5327824
3,4-Bis((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327825
3-((3-Chlorophenyl)amino)-4-((3-methylphenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327827
3-((4-Aminophenyl)amino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327833
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 18
CID 5327834
3-benzylamino-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327835
4-N-(3-chlorophenyl)-3-N-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 5327836

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 4138917) is N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)c(C)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DQXPZXWVIMUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c1-12-6-7-17(13(2)8-12)25-19-16(10-23-25)18(21-11-22-19)24-15-5-3-4-14(20)9-15/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 349.83 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 4138917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).