3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide

C9H15ClN6O — CID 44513113

IUPAC3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide
SMILESCC[C@@H](N)CNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C9H15ClN6O/c1-2-4(11)3-14-9(17)5-7(12)16-8(13)6(10)15-5/h4H,2-3,11H2,1H3,(H,14,17)(H4,12,13,16)/t4-/m1/s1
InChIKeyOIMFLKLANNBAPS-SCSAIBSYSA-N
MW258.71 g/mol
LogP-0.24
Rot. Bonds4

About 3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide

3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide (PubChem CID 44513113) has the molecular formula C9H15ClN6O and a molecular weight of 258.71 g/mol. Its IUPAC name is 3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide
PubChem CID44513113
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC Name3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide
SMILESCC[C@@H](N)CNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C9H15ClN6O/c1-2-4(11)3-14-9(17)5-7(12)16-8(13)6(10)15-5/h4H,2-3,11H2,1H3,(H,14,17)(H4,12,13,16)/t4-/m1/s1
InChIKeyOIMFLKLANNBAPS-SCSAIBSYSA-N
XLogP-0.24
TPSA132.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide (CID 44513113) is 3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide is CC[C@@H](N)CNC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide?
The InChIKey is OIMFLKLANNBAPS-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H15ClN6O/c1-2-4(11)3-14-9(17)5-7(12)16-8(13)6(10)15-5/h4H,2-3,11H2,1H3,(H,14,17)(H4,12,13,16)/t4-/m1/s1.
What are the key properties of 3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide?
3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide has a molecular weight of 258.71 g/mol, XLogP of -0.24, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 44513113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).