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

C19H25N7O — CID 155413803

IUPAC6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOC1CC(Nc2nc(NC[C@H](N)c3ccccc3)nc3c2cnn3C)C1
InChIInChI=1S/C19H25N7O/c1-26-18-15(10-22-26)17(23-13-8-14(9-13)27-2)24-19(25-18)21-11-16(20)12-6-4-3-5-7-12/h3-7,10,13-14,16H,8-9,11,20H2,1-2H3,(H2,21,23,24,25)/t13?,14?,16-/m0/s1
InChIKeyRAFYXCYDQAJQIB-XUJLQICISA-N
MW367.46 g/mol
LogP2.06
Rot. Bonds7

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

6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155413803) 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]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155413803
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOC1CC(Nc2nc(NC[C@H](N)c3ccccc3)nc3c2cnn3C)C1
InChIInChI=1S/C19H25N7O/c1-26-18-15(10-22-26)17(23-13-8-14(9-13)27-2)24-19(25-18)21-11-16(20)12-6-4-3-5-7-12/h3-7,10,13-14,16H,8-9,11,20H2,1-2H3,(H2,21,23,24,25)/t13?,14?,16-/m0/s1
InChIKeyRAFYXCYDQAJQIB-XUJLQICISA-N
XLogP2.06
TPSA102.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

(2R)-2-((4-(benzylamino)-8-(1-methylethyl)pyrazolo(1,5-a)(1,3,5)triazin-2-yl)amino)butan-1-ol
CID 25190761
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227530
(2S)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
CID 25190764
(3R,4S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol
CID 118329676
6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 131801461
N-[(1R)-1-phenylethyl]-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 76322048
1-phenyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 611207
N-butan-2-yl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 3256374
Trk-IN-21
CID 164886651
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168268870
3-(1-cyclobutylpyrazol-4-yl)-N-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168283589

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155413803) is 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-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-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is COC1CC(Nc2nc(NC[C@H](N)c3ccccc3)nc3c2cnn3C)C1.
What is the InChIKey of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is RAFYXCYDQAJQIB-XUJLQICISA-N. The full InChI is InChI=1S/C19H25N7O/c1-26-18-15(10-22-26)17(23-13-8-14(9-13)27-2)24-19(25-18)21-11-16(20)12-6-4-3-5-7-12/h3-7,10,13-14,16H,8-9,11,20H2,1-2H3,(H2,21,23,24,25)/t13?,14?,16-/m0/s1.
What are the key properties of 6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[(2R)-2-amino-2-phenylethyl]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 367.46 g/mol, XLogP of 2.06, 7 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]-4-N-(3-methoxycyclobutyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155413803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).