6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C20H25F2N7 — CID 155428951

IUPAC6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(NC3CCC(F)(F)CC3)nc(NC[C@H](N)c3ccccc3)nc21
InChIInChI=1S/C20H25F2N7/c1-29-18-15(11-25-29)17(26-14-7-9-20(21,22)10-8-14)27-19(28-18)24-12-16(23)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10,12,23H2,1H3,(H2,24,26,27,28)/t16-/m0/s1
InChIKeyJRNHJZQGZNJZLQ-INIZCTEOSA-N
MW401.47 g/mol
LogP3.46
Rot. Bonds6

About 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155428951) has the molecular formula C20H25F2N7 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155428951
Molecular FormulaC20H25F2N7
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(NC3CCC(F)(F)CC3)nc(NC[C@H](N)c3ccccc3)nc21
InChIInChI=1S/C20H25F2N7/c1-29-18-15(11-25-29)17(26-14-7-9-20(21,22)10-8-14)27-19(28-18)24-12-16(23)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10,12,23H2,1H3,(H2,24,26,27,28)/t16-/m0/s1
InChIKeyJRNHJZQGZNJZLQ-INIZCTEOSA-N
XLogP3.46
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414310
6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(1-methylcyclobutyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155413642
6-N-(2-amino-2-phenylethyl)-4-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414644
6-N-(2-amino-2-phenylethyl)-4-N-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414227
N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
CID 155413689
4-N-(2-fluoro-2-methylpropyl)-1-methyl-6-N-(2-phenylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155744693
6-N-(2,2-diphenylethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 86804856
6-N-[2-amino-2-(2-bromophenyl)ethyl]-4-N-tert-butyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414664
4-N-benzyl-1-methyl-6-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216335
6-N-(2-amino-2-phenylethyl)-4-N-tert-butyl-1,3-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155413675
6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460053
6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155413687

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155428951) is 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(NC3CCC(F)(F)CC3)nc(NC[C@H](N)c3ccccc3)nc21.
What is the InChIKey of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is JRNHJZQGZNJZLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25F2N7/c1-29-18-15(11-25-29)17(26-14-7-9-20(21,22)10-8-14)27-19(28-18)24-12-16(23)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10,12,23H2,1H3,(H2,24,26,27,28)/t16-/m0/s1.
What are the key properties of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 401.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(4,4-difluorocyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155428951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).