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

C14H14ClN5O — CID 58345945

IUPAC6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(Cl)nc3c2c(C)nn3C)c1
InChIInChI=1S/C14H14ClN5O/c1-8-11-12(16-9-5-4-6-10(7-9)21-3)17-14(15)18-13(11)20(2)19-8/h4-7H,1-3H3,(H,16,17,18)
InChIKeyXIKBMLODJQQNPS-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.08
Rot. Bonds3

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

6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 58345945) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID58345945
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(Cl)nc3c2c(C)nn3C)c1
InChIInChI=1S/C14H14ClN5O/c1-8-11-12(16-9-5-4-6-10(7-9)21-3)17-14(15)18-13(11)20(2)19-8/h4-7H,1-3H3,(H,16,17,18)
InChIKeyXIKBMLODJQQNPS-UHFFFAOYSA-N
XLogP3.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554187
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
N-(3-methoxyphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 4225944
6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971215
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
4-chloro-N-(3-methoxyphenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62868168
5-(3-methoxyanilino)-6-methyl-2H-1,2,4-triazine-3-thione
CID 23412255
4-N-(3-chloro-2-methylphenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878059
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
3-chloro-N-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 115001203
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine
CID 3566059

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 58345945) is 6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Nc2nc(Cl)nc3c2c(C)nn3C)c1.
What is the InChIKey of 6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XIKBMLODJQQNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-8-11-12(16-9-5-4-6-10(7-9)21-3)17-14(15)18-13(11)20(2)19-8/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.75 g/mol, XLogP of 3.08, 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-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58345945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).