N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H14ClN5 — CID 110875096

IUPACN-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2ncnc3c2cnn3C)c(Cl)c1
InChIInChI=1S/C14H14ClN5/c1-8-4-9(2)12(11(15)5-8)19-13-10-6-18-20(3)14(10)17-7-16-13/h4-7H,1-3H3,(H,16,17,19)
InChIKeyKHTWENBOMRBCHL-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.38
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110875096) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110875096
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2ncnc3c2cnn3C)c(Cl)c1
InChIInChI=1S/C14H14ClN5/c1-8-4-9(2)12(11(15)5-8)19-13-10-6-18-20(3)14(10)17-7-16-13/h4-7H,1-3H3,(H,16,17,19)
InChIKeyKHTWENBOMRBCHL-UHFFFAOYSA-N
XLogP3.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4082477
N-(4-chloro-2-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434831
N-(2-chloro-4,6-dimethylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 110875095
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86808280
1-methyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43543834
3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584273
1-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590091
N-[(4-bromo-2-chlorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 47446344
4-methyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 110434846
6-amino-1,3-dimethyl-5-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrimidine-2,4-dione
CID 4902145
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-phenylbenzene-1,2-diamine
CID 4975424
N-(2-chloro-4,6-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659942

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110875096) is N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(C)c(Nc2ncnc3c2cnn3C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KHTWENBOMRBCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-8-4-9(2)12(11(15)5-8)19-13-10-6-18-20(3)14(10)17-7-16-13/h4-7H,1-3H3,(H,16,17,19).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 287.75 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110875096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).