2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid

C11H11N5O2 — CID 134177592

IUPAC2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid
SMILESC[C@H](Nc1ncc(C(=O)O)cn1)c1cnccn1
InChIInChI=1S/C11H11N5O2/c1-7(9-6-12-2-3-13-9)16-11-14-4-8(5-15-11)10(17)18/h2-7H,1H3,(H,17,18)(H,14,15,16)/t7-/m0/s1
InChIKeyVPSWBHMYFZCDKG-ZETCQYMHSA-N
MW245.24 g/mol
LogP1.14
Rot. Bonds4

About 2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid

2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid (PubChem CID 134177592) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid
PubChem CID134177592
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid
SMILESC[C@H](Nc1ncc(C(=O)O)cn1)c1cnccn1
InChIInChI=1S/C11H11N5O2/c1-7(9-6-12-2-3-13-9)16-11-14-4-8(5-15-11)10(17)18/h2-7H,1H3,(H,17,18)(H,14,15,16)/t7-/m0/s1
InChIKeyVPSWBHMYFZCDKG-ZETCQYMHSA-N
XLogP1.14
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid (CID 134177592) is 2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid is C[C@H](Nc1ncc(C(=O)O)cn1)c1cnccn1.
What is the InChIKey of 2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid?
The InChIKey is VPSWBHMYFZCDKG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-7(9-6-12-2-3-13-9)16-11-14-4-8(5-15-11)10(17)18/h2-7H,1H3,(H,17,18)(H,14,15,16)/t7-/m0/s1.
What are the key properties of 2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid?
2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 134177592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).