(2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

C12H17N5O2 — CID 56903186

IUPAC(2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCC(C)c1cc(N[C@@H](CO)C(N)=O)n2nccc2n1
InChIInChI=1S/C12H17N5O2/c1-7(2)8-5-11(16-9(6-18)12(13)19)17-10(15-8)3-4-14-17/h3-5,7,9,16,18H,6H2,1-2H3,(H2,13,19)/t9-/m0/s1
InChIKeyJXCYGKCRHCUTGM-VIFPVBQESA-N
MW263.30 g/mol
LogP0.11
Rot. Bonds5

About (2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

(2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (PubChem CID 56903186) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
PubChem CID56903186
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCC(C)c1cc(N[C@@H](CO)C(N)=O)n2nccc2n1
InChIInChI=1S/C12H17N5O2/c1-7(2)8-5-11(16-9(6-18)12(13)19)17-10(15-8)3-4-14-17/h3-5,7,9,16,18H,6H2,1-2H3,(H2,13,19)/t9-/m0/s1
InChIKeyJXCYGKCRHCUTGM-VIFPVBQESA-N
XLogP0.11
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The IUPAC name of (2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (CID 56903186) is (2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is CC(C)c1cc(N[C@@H](CO)C(N)=O)n2nccc2n1.
What is the InChIKey of (2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The InChIKey is JXCYGKCRHCUTGM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7(2)8-5-11(16-9(6-18)12(13)19)17-10(15-8)3-4-14-17/h3-5,7,9,16,18H,6H2,1-2H3,(H2,13,19)/t9-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
(2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide has a molecular weight of 263.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is sourced from PubChem (CID 56903186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).