methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate

C11H16ClN5O2 — CID 10636910

IUPACmethyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(NC2CCNCC2)nc1N
InChIInChI=1S/C11H16ClN5O2/c1-19-11(18)7-9(13)17-10(8(12)16-7)15-6-2-4-14-5-3-6/h6,14H,2-5H2,1H3,(H3,13,15,17)
InChIKeyOQIPAVSBKVBRKA-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.66
Rot. Bonds3

About methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate

methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate (PubChem CID 10636910) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate
PubChem CID10636910
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Namemethyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(NC2CCNCC2)nc1N
InChIInChI=1S/C11H16ClN5O2/c1-19-11(18)7-9(13)17-10(8(12)16-7)15-6-2-4-14-5-3-6/h6,14H,2-5H2,1H3,(H3,13,15,17)
InChIKeyOQIPAVSBKVBRKA-UHFFFAOYSA-N
XLogP0.66
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate (CID 10636910) is methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(NC2CCNCC2)nc1N.
What is the InChIKey of methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
The InChIKey is OQIPAVSBKVBRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-19-11(18)7-9(13)17-10(8(12)16-7)15-6-2-4-14-5-3-6/h6,14H,2-5H2,1H3,(H3,13,15,17).
What are the key properties of methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate?
methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate has a molecular weight of 285.74 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chloro-5-(piperidin-4-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 10636910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).