4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine

C16H19ClFN7 — CID 42669484

IUPAC4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCN(C)CCNc1nc(-c2ccc(F)c(Cl)c2)c2c(N)n(C)nc2n1
InChIInChI=1S/C16H19ClFN7/c1-24(2)7-6-20-16-21-13(9-4-5-11(18)10(17)8-9)12-14(19)25(3)23-15(12)22-16/h4-5,8H,6-7,19H2,1-3H3,(H,20,22,23)
InChIKeyIQZSLPRGJTVQAN-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.38
Rot. Bonds5

About 4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine

4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42669484) has the molecular formula C16H19ClFN7 and a molecular weight of 363.83 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42669484
Molecular FormulaC16H19ClFN7
Molecular Weight363.83 g/mol
Exact Mass363.14
IUPAC Name4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCN(C)CCNc1nc(-c2ccc(F)c(Cl)c2)c2c(N)n(C)nc2n1
InChIInChI=1S/C16H19ClFN7/c1-24(2)7-6-20-16-21-13(9-4-5-11(18)10(17)8-9)12-14(19)25(3)23-15(12)22-16/h4-5,8H,6-7,19H2,1-3H3,(H,20,22,23)
InChIKeyIQZSLPRGJTVQAN-UHFFFAOYSA-N
XLogP2.38
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-chloro-4-fluorophenyl)-6-N-cyclopentyl-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669507
2-benzyl-4-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668598
4-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)-6-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669410
6-N-[2-(dimethylamino)ethyl]-2,4-bis(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667574
4-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669370
2-benzyl-4-(2,4-difluorophenyl)-6-N-[2-(dimethylamino)ethyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668740
4-(2,4-difluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668757
4-(3-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668934
4-(3-chloro-4-fluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42669485
4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667993
3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
CID 82875760
4-(2,3-difluorophenyl)-6-N-(2-methoxyethyl)-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669292

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42669484) is 4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine is CN(C)CCNc1nc(-c2ccc(F)c(Cl)c2)c2c(N)n(C)nc2n1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is IQZSLPRGJTVQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN7/c1-24(2)7-6-20-16-21-13(9-4-5-11(18)10(17)8-9)12-14(19)25(3)23-15(12)22-16/h4-5,8H,6-7,19H2,1-3H3,(H,20,22,23).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 363.83 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42669484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).