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

C19H23F2N7 — CID 155414310

IUPAC6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(NC3(C)CC(F)(F)C3)nc(NC[C@H](N)c3ccccc3)nc21
InChIInChI=1S/C19H23F2N7/c1-18(10-19(20,21)11-18)27-15-13-8-24-28(2)16(13)26-17(25-15)23-9-14(22)12-6-4-3-5-7-12/h3-8,14H,9-11,22H2,1-2H3,(H2,23,25,26,27)/t14-/m0/s1
InChIKeyRMIGGOHWRUJXAS-AWEZNQCLSA-N
MW387.44 g/mol
LogP3.07
Rot. Bonds6

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

6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155414310) has the molecular formula C19H23F2N7 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155414310
Molecular FormulaC19H23F2N7
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(NC3(C)CC(F)(F)C3)nc(NC[C@H](N)c3ccccc3)nc21
InChIInChI=1S/C19H23F2N7/c1-18(10-19(20,21)11-18)27-15-13-8-24-28(2)16(13)26-17(25-15)23-9-14(22)12-6-4-3-5-7-12/h3-8,14H,9-11,22H2,1-2H3,(H2,23,25,26,27)/t14-/m0/s1
InChIKeyRMIGGOHWRUJXAS-AWEZNQCLSA-N
XLogP3.07
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 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) is 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(NC3(C)CC(F)(F)C3)nc(NC[C@H](N)c3ccccc3)nc21.
What is the InChIKey of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is RMIGGOHWRUJXAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23F2N7/c1-18(10-19(20,21)11-18)27-15-13-8-24-28(2)16(13)26-17(25-15)23-9-14(22)12-6-4-3-5-7-12/h3-8,14H,9-11,22H2,1-2H3,(H2,23,25,26,27)/t14-/m0/s1.
What are the key properties of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 387.44 g/mol, XLogP of 3.07, 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-(3,3-difluoro-1-methylcyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155414310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).