(2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine

C9H16N4O2 — CID 67015384

IUPAC(2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine
SMILESCC(C)[C@H](N)C(=O)O.Nc1ncccn1
InChIInChI=1S/C5H11NO2.C4H5N3/c1-3(2)4(6)5(7)8;5-4-6-2-1-3-7-4/h3-4H,6H2,1-2H3,(H,7,8);1-3H,(H2,5,6,7)/t4-;/m0./s1
InChIKeyGPXOFPZTZOZGKL-WCCKRBBISA-N
MW212.25 g/mol
LogP0.11
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine

(2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine (PubChem CID 67015384) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine
PubChem CID67015384
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine
SMILESCC(C)[C@H](N)C(=O)O.Nc1ncccn1
InChIInChI=1S/C5H11NO2.C4H5N3/c1-3(2)4(6)5(7)8;5-4-6-2-1-3-7-4/h3-4H,6H2,1-2H3,(H,7,8);1-3H,(H2,5,6,7)/t4-;/m0./s1
InChIKeyGPXOFPZTZOZGKL-WCCKRBBISA-N
XLogP0.11
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine (CID 67015384) is (2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine is CC(C)[C@H](N)C(=O)O.Nc1ncccn1.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine?
The InChIKey is GPXOFPZTZOZGKL-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C4H5N3/c1-3(2)4(6)5(7)8;5-4-6-2-1-3-7-4/h3-4H,6H2,1-2H3,(H,7,8);1-3H,(H2,5,6,7)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine?
(2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine has a molecular weight of 212.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;pyrimidin-2-amine is sourced from PubChem (CID 67015384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).