3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide

C11H19ClN6O — CID 57393343

IUPAC3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide
SMILESCN(C)CCCCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C11H19ClN6O/c1-18(2)6-4-3-5-15-11(19)7-9(13)17-10(14)8(12)16-7/h3-6H2,1-2H3,(H,15,19)(H4,13,14,17)
InChIKeyOPXUVRFROIYQJS-UHFFFAOYSA-N
MW286.77 g/mol
LogP0.37
Rot. Bonds6

About 3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide (PubChem CID 57393343) has the molecular formula C11H19ClN6O and a molecular weight of 286.77 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide
PubChem CID57393343
Molecular FormulaC11H19ClN6O
Molecular Weight286.77 g/mol
Exact Mass286.13
IUPAC Name3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide
SMILESCN(C)CCCCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C11H19ClN6O/c1-18(2)6-4-3-5-15-11(19)7-9(13)17-10(14)8(12)16-7/h3-6H2,1-2H3,(H,15,19)(H4,13,14,17)
InChIKeyOPXUVRFROIYQJS-UHFFFAOYSA-N
XLogP0.37
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide (CID 57393343) is 3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide is CN(C)CCCCNC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide?
The InChIKey is OPXUVRFROIYQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O/c1-18(2)6-4-3-5-15-11(19)7-9(13)17-10(14)8(12)16-7/h3-6H2,1-2H3,(H,15,19)(H4,13,14,17).
What are the key properties of 3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide has a molecular weight of 286.77 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide is sourced from PubChem (CID 57393343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).