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

C9H15ClN6O — CID 15148130

IUPAC3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C9H15ClN6O/c1-16(2)4-3-13-9(17)5-7(11)15-8(12)6(10)14-5/h3-4H2,1-2H3,(H,13,17)(H4,11,12,15)
InChIKeyPNBRFHAEUNXRBD-UHFFFAOYSA-N
MW258.71 g/mol
LogP-0.41
Rot. Bonds4

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

3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide (PubChem CID 15148130) has the molecular formula C9H15ClN6O and a molecular weight of 258.71 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
PubChem CID15148130
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC Name3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C9H15ClN6O/c1-16(2)4-3-13-9(17)5-7(11)15-8(12)6(10)14-5/h3-4H2,1-2H3,(H,13,17)(H4,11,12,15)
InChIKeyPNBRFHAEUNXRBD-UHFFFAOYSA-N
XLogP-0.41
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide (CID 15148130) is 3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide is CN(C)CCNC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The InChIKey is PNBRFHAEUNXRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6O/c1-16(2)4-3-13-9(17)5-7(11)15-8(12)6(10)14-5/h3-4H2,1-2H3,(H,13,17)(H4,11,12,15).
What are the key properties of 3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide has a molecular weight of 258.71 g/mol, XLogP of -0.41, 4 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-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 15148130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).