(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide

C10H16N4O — CID 61154929

IUPAC(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cnccn1
InChIInChI=1S/C10H16N4O/c1-10(2,3)8(11)9(15)14-7-6-12-4-5-13-7/h4-6,8H,11H2,1-3H3,(H,13,14,15)/t8-/m1/s1
InChIKeyDVUBINKTBQJRJX-MRVPVSSYSA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide

(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide (PubChem CID 61154929) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
PubChem CID61154929
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cnccn1
InChIInChI=1S/C10H16N4O/c1-10(2,3)8(11)9(15)14-7-6-12-4-5-13-7/h4-6,8H,11H2,1-3H3,(H,13,14,15)/t8-/m1/s1
InChIKeyDVUBINKTBQJRJX-MRVPVSSYSA-N
XLogP0.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide (CID 61154929) is (2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide is CC(C)(C)[C@H](N)C(=O)Nc1cnccn1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide?
The InChIKey is DVUBINKTBQJRJX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2,3)8(11)9(15)14-7-6-12-4-5-13-7/h4-6,8H,11H2,1-3H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide?
(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide has a molecular weight of 208.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide is sourced from PubChem (CID 61154929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).