6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C19H25N7O — CID 155414192

IUPAC6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(NC3CCOCC3)nc(NC[C@H](N)c3ccccc3)nc21
InChIInChI=1S/C19H25N7O/c1-26-18-15(11-22-26)17(23-14-7-9-27-10-8-14)24-19(25-18)21-12-16(20)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10,12,20H2,1H3,(H2,21,23,24,25)/t16-/m0/s1
InChIKeyIYNFTOQBKLVFRU-INIZCTEOSA-N
MW367.46 g/mol
LogP2.07
Rot. Bonds6

About 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155414192) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155414192
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(NC3CCOCC3)nc(NC[C@H](N)c3ccccc3)nc21
InChIInChI=1S/C19H25N7O/c1-26-18-15(11-22-26)17(23-14-7-9-27-10-8-14)24-19(25-18)21-12-16(20)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10,12,20H2,1H3,(H2,21,23,24,25)/t16-/m0/s1
InChIKeyIYNFTOQBKLVFRU-INIZCTEOSA-N
XLogP2.07
TPSA102.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155414192) is 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(NC3CCOCC3)nc(NC[C@H](N)c3ccccc3)nc21.
What is the InChIKey of 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is IYNFTOQBKLVFRU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N7O/c1-26-18-15(11-22-26)17(23-14-7-9-27-10-8-14)24-19(25-18)21-12-16(20)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10,12,20H2,1H3,(H2,21,23,24,25)/t16-/m0/s1.
What are the key properties of 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 367.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2R)-2-amino-2-phenylethyl]-1-methyl-4-N-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155414192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).