(2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide

C17H20N6O — CID 56901945

IUPAC(2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide
SMILESC[C@H](Nc1nc(CCc2ccccc2)nc2c1cnn2C)C(N)=O
InChIInChI=1S/C17H20N6O/c1-11(15(18)24)20-16-13-10-19-23(2)17(13)22-14(21-16)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,18,24)(H,20,21,22)/t11-/m0/s1
InChIKeyRFAIEWBNMRMWSX-NSHDSACASA-N
MW324.39 g/mol
LogP1.43
Rot. Bonds6

About (2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide

(2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide (PubChem CID 56901945) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide
PubChem CID56901945
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide
SMILESC[C@H](Nc1nc(CCc2ccccc2)nc2c1cnn2C)C(N)=O
InChIInChI=1S/C17H20N6O/c1-11(15(18)24)20-16-13-10-19-23(2)17(13)22-14(21-16)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,18,24)(H,20,21,22)/t11-/m0/s1
InChIKeyRFAIEWBNMRMWSX-NSHDSACASA-N
XLogP1.43
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide?
The IUPAC name of (2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide (CID 56901945) is (2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for (2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide is C[C@H](Nc1nc(CCc2ccccc2)nc2c1cnn2C)C(N)=O.
What is the InChIKey of (2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide?
The InChIKey is RFAIEWBNMRMWSX-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N6O/c1-11(15(18)24)20-16-13-10-19-23(2)17(13)22-14(21-16)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,18,24)(H,20,21,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide?
(2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide has a molecular weight of 324.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 56901945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).