tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate

C10H14ClN5O3 — CID 20623978

IUPACtert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(N)c(C(N)=O)nc1Cl
InChIInChI=1S/C10H14ClN5O3/c1-10(2,3)19-9(18)16-8-5(11)14-4(7(13)17)6(12)15-8/h1-3H3,(H2,13,17)(H3,12,15,16,18)
InChIKeyWWDGCXPBJIONQJ-UHFFFAOYSA-N
MW287.71 g/mol
LogP1.16
Rot. Bonds2

About tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate

tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate (PubChem CID 20623978) has the molecular formula C10H14ClN5O3 and a molecular weight of 287.71 g/mol. Its IUPAC name is tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate
PubChem CID20623978
Molecular FormulaC10H14ClN5O3
Molecular Weight287.71 g/mol
Exact Mass287.08
IUPAC Nametert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(N)c(C(N)=O)nc1Cl
InChIInChI=1S/C10H14ClN5O3/c1-10(2,3)19-9(18)16-8-5(11)14-4(7(13)17)6(12)15-8/h1-3H3,(H2,13,17)(H3,12,15,16,18)
InChIKeyWWDGCXPBJIONQJ-UHFFFAOYSA-N
XLogP1.16
TPSA133.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
CID 130008687
tert-butyl N-(4-carbamoyl-1,2,5-oxadiazol-3-yl)carbamate
CID 143009004
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
2-[[3-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]pyrazin-2-yl]amino]acetic acid
CID 173488594
tert-butyl N-(4-amino-6-chloro-1,3,5-triazin-2-yl)carbamate
CID 20624439
tert-butyl N-(5-bromo-6-chloro-3-hydroxy-2-pyridinyl)carbamate
CID 71743183
tert-butyl N-[2-[[3,6-diamino-5-(propylcarbamoyl)pyrazine-2-carbonyl]amino]ethyl]carbamate
CID 70923387
tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
3-amino-6-chloro-N'-ethyl-5-(hydroxymethylamino)pyrazine-2-carboximidamide
CID 158277317

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate (CID 20623978) is tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc(N)c(C(N)=O)nc1Cl.
What is the InChIKey of tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate?
The InChIKey is WWDGCXPBJIONQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O3/c1-10(2,3)19-9(18)16-8-5(11)14-4(7(13)17)6(12)15-8/h1-3H3,(H2,13,17)(H3,12,15,16,18).
What are the key properties of tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate?
tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate has a molecular weight of 287.71 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)carbamate is sourced from PubChem (CID 20623978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).