3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid

C8H11ClN4O2 — CID 22000384

IUPAC3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCC(C)Nc1nc(N)c(C(=O)O)nc1Cl
InChIInChI=1S/C8H11ClN4O2/c1-3(2)11-7-5(9)12-4(8(14)15)6(10)13-7/h3H,1-2H3,(H,14,15)(H3,10,11,13)
InChIKeyFDXQKOSOGMOQJW-UHFFFAOYSA-N
MW230.66 g/mol
LogP1.23
Rot. Bonds3

About 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid

3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid (PubChem CID 22000384) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid
PubChem CID22000384
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCC(C)Nc1nc(N)c(C(=O)O)nc1Cl
InChIInChI=1S/C8H11ClN4O2/c1-3(2)11-7-5(9)12-4(8(14)15)6(10)13-7/h3H,1-2H3,(H,14,15)(H3,10,11,13)
InChIKeyFDXQKOSOGMOQJW-UHFFFAOYSA-N
XLogP1.23
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Diamino-6-chloro-pyrazine acid
CID 6452119
3-Amino-6-chloro-5-(piperidin-4-ylamino)-pyrazine-2-carboxylic acid methyl ester
CID 10636910
2-[[6-Amino-3-chloro-5-(diaminomethylidenecarbamoyl)pyrazin-2-yl]amino]acetic acid
CID 11277660
UCD74A Hydrochloride
CID 57392795
3-[[6-Amino-3-chloro-5-(diaminomethylidenecarbamoyl)pyrazin-2-yl]amino]propanoic acid;hydrochloride
CID 57396266
3-[[6-Amino-3-chloro-5-(diaminomethylidenecarbamoyl)pyrazin-2-yl]amino]propanoic acid
CID 57396267
Methyl 3-amino-6-chloro-5-piperazin-1-ylpyrazine-2-carboxylate;hydrochloride
CID 90674683
Methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate
CID 14042147
Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester
CID 3014007
3-Amino-5-(isopropylamino)pyrazine-2-carboxylic acid
CID 68817225
3-Amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443770
Methyl 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylate
CID 2781563

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid (CID 22000384) is 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid is CC(C)Nc1nc(N)c(C(=O)O)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is FDXQKOSOGMOQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-3(2)11-7-5(9)12-4(8(14)15)6(10)13-7/h3H,1-2H3,(H,14,15)(H3,10,11,13).
What are the key properties of 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid?
3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 230.66 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 22000384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).