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

C13H11Cl2N5O — CID 27368996

IUPAC6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(Cl)nc3c2cnn3C)cc1Cl
InChIInChI=1S/C13H11Cl2N5O/c1-20-12-8(6-16-20)11(18-13(15)19-12)17-7-3-4-10(21-2)9(14)5-7/h3-6H,1-2H3,(H,17,18,19)
InChIKeyFTXDKWWLXUQBPF-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.42
Rot. Bonds3

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

6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 27368996) has the molecular formula C13H11Cl2N5O and a molecular weight of 324.17 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID27368996
Molecular FormulaC13H11Cl2N5O
Molecular Weight324.17 g/mol
Exact Mass323.03
IUPAC Name6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(Cl)nc3c2cnn3C)cc1Cl
InChIInChI=1S/C13H11Cl2N5O/c1-20-12-8(6-16-20)11(18-13(15)19-12)17-7-3-4-10(21-2)9(14)5-7/h3-6H,1-2H3,(H,17,18,19)
InChIKeyFTXDKWWLXUQBPF-UHFFFAOYSA-N
XLogP3.42
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 27602542
N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 8547962
4-N-(3-chloro-4-methylphenyl)-6-N-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216285
2-[[6-(3,4-dimethoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 7162561
N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476106
4-N-(3-chlorophenyl)-6-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545698
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460053
6-N-(3,4-dimethylphenyl)-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545365
6-chloro-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 114840488
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 27368996) is 6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(Nc2nc(Cl)nc3c2cnn3C)cc1Cl.
What is the InChIKey of 6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FTXDKWWLXUQBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5O/c1-20-12-8(6-16-20)11(18-13(15)19-12)17-7-3-4-10(21-2)9(14)5-7/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 324.17 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 27368996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).