3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide

C10H16N6O4 — CID 53389119

IUPAC3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide
SMILESNc1nc(C(=O)NCCO)c(N)nc1C(=O)NCCO
InChIInChI=1S/C10H16N6O4/c11-7-5(9(19)13-1-3-17)15-8(12)6(16-7)10(20)14-2-4-18/h17-18H,1-4H2,(H2,12,15)(H2,11,16)(H,13,19)(H,14,20)
InChIKeyBORYQYVJTOHOLL-UHFFFAOYSA-N
MW284.28 g/mol
LogP-2.91
Rot. Bonds6

About 3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide

3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide (PubChem CID 53389119) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide.

Molecular Properties

Compound Name3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide
PubChem CID53389119
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide
SMILESNc1nc(C(=O)NCCO)c(N)nc1C(=O)NCCO
InChIInChI=1S/C10H16N6O4/c11-7-5(9(19)13-1-3-17)15-8(12)6(16-7)10(20)14-2-4-18/h17-18H,1-4H2,(H2,12,15)(H2,11,16)(H,13,19)(H,14,20)
InChIKeyBORYQYVJTOHOLL-UHFFFAOYSA-N
XLogP-2.91
TPSA176.48 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.28
LogP ≤ 5-2.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

Relmapirazin
CID 53389120
N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N''-(2-hydroxyethyl)guanidine
CID 11594744
3,5-Diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
CID 15148129
3,5-diamino-6-chloro-N-(2-methylaminoethyl)pyrazine-2-carboxamide
CID 19861822
Relmapirazin Enantiomer
CID 24852797
(2R)-2-[[5-[[(1R)-1-carboxy-2-hydroxyethyl]carbamoyl]-3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 53386760
2-N,5-N-bis(2,3-dihydroxypropyl)-3,6-bis[[(2S)-2,3-dihydroxypropyl]amino]pyrazine-2,5-dicarboxamide
CID 53389124
3,6-diamino-2-N,5-N-bis(2,3-dihydroxypropyl)pyrazine-2,5-dicarboxamide
CID 24852796
(2R)-2-[[3,6-diamino-5-[[(1R)-1,2-dicarboxyethyl]carbamoyl]pyrazine-2-carbonyl]amino]butanedioic acid
CID 53389121
3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
CID 70686333
3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
CID 70686334
3,6-Bis(propylamino)-N2,N5-di(2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71-tetracosaoxatriheptacontan-73-yl)pyrazine-2,5-dicarboxamide
CID 70686336

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide?
The IUPAC name of 3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide (CID 53389119) is 3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide.
What is the SMILES notation for 3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide?
The canonical SMILES for 3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide is Nc1nc(C(=O)NCCO)c(N)nc1C(=O)NCCO.
What is the InChIKey of 3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide?
The InChIKey is BORYQYVJTOHOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O4/c11-7-5(9(19)13-1-3-17)15-8(12)6(16-7)10(20)14-2-4-18/h17-18H,1-4H2,(H2,12,15)(H2,11,16)(H,13,19)(H,14,20).
What are the key properties of 3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide?
3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide has a molecular weight of 284.28 g/mol, XLogP of -2.91, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-2-N,5-N-bis(2-hydroxyethyl)pyrazine-2,5-dicarboxamide is sourced from PubChem (CID 53389119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).