(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide

C13H19N5O2 — CID 56911356

IUPAC(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide
SMILESCCc1cc(N[C@@H](CO)C(N)=O)n2nc(C)c(C)c2n1
InChIInChI=1S/C13H19N5O2/c1-4-9-5-11(16-10(6-19)12(14)20)18-13(15-9)7(2)8(3)17-18/h5,10,16,19H,4,6H2,1-3H3,(H2,14,20)/t10-/m0/s1
InChIKeyPYOKPQVASYXMEZ-JTQLQIEISA-N
MW277.33 g/mol
LogP0.17
Rot. Bonds5

About (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide

(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide (PubChem CID 56911356) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide
PubChem CID56911356
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide
SMILESCCc1cc(N[C@@H](CO)C(N)=O)n2nc(C)c(C)c2n1
InChIInChI=1S/C13H19N5O2/c1-4-9-5-11(16-10(6-19)12(14)20)18-13(15-9)7(2)8(3)17-18/h5,10,16,19H,4,6H2,1-3H3,(H2,14,20)/t10-/m0/s1
InChIKeyPYOKPQVASYXMEZ-JTQLQIEISA-N
XLogP0.17
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide?
The IUPAC name of (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide (CID 56911356) is (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide is CCc1cc(N[C@@H](CO)C(N)=O)n2nc(C)c(C)c2n1.
What is the InChIKey of (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide?
The InChIKey is PYOKPQVASYXMEZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-9-5-11(16-10(6-19)12(14)20)18-13(15-9)7(2)8(3)17-18/h5,10,16,19H,4,6H2,1-3H3,(H2,14,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide?
(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide has a molecular weight of 277.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-hydroxypropanamide is sourced from PubChem (CID 56911356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).