(3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate

C9H15ClN6O2 — CID 88876218

IUPAC(3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate
SMILESCC[C@H](N)CNC(=O)Oc1nc(Cl)c(N)nc1N
InChIInChI=1S/C9H15ClN6O2/c1-2-4(11)3-14-9(17)18-8-7(13)16-6(12)5(10)15-8/h4H,2-3,11H2,1H3,(H,14,17)(H4,12,13,16)/t4-/m0/s1
InChIKeyLRFKWLQCZWZGNU-BYPYZUCNSA-N
MW274.71 g/mol
LogP0.12
Rot. Bonds4

About (3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate

(3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate (PubChem CID 88876218) has the molecular formula C9H15ClN6O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is (3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate.

Molecular Properties

Compound Name(3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate
PubChem CID88876218
Molecular FormulaC9H15ClN6O2
Molecular Weight274.71 g/mol
Exact Mass274.09
IUPAC Name(3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate
SMILESCC[C@H](N)CNC(=O)Oc1nc(Cl)c(N)nc1N
InChIInChI=1S/C9H15ClN6O2/c1-2-4(11)3-14-9(17)18-8-7(13)16-6(12)5(10)15-8/h4H,2-3,11H2,1H3,(H,14,17)(H4,12,13,16)/t4-/m0/s1
InChIKeyLRFKWLQCZWZGNU-BYPYZUCNSA-N
XLogP0.12
TPSA142.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate?
The IUPAC name of (3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate (CID 88876218) is (3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate.
What is the SMILES notation for (3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate?
The canonical SMILES for (3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate is CC[C@H](N)CNC(=O)Oc1nc(Cl)c(N)nc1N.
What is the InChIKey of (3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate?
The InChIKey is LRFKWLQCZWZGNU-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H15ClN6O2/c1-2-4(11)3-14-9(17)18-8-7(13)16-6(12)5(10)15-8/h4H,2-3,11H2,1H3,(H,14,17)(H4,12,13,16)/t4-/m0/s1.
What are the key properties of (3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate?
(3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate has a molecular weight of 274.71 g/mol, XLogP of 0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diamino-6-chloropyrazin-2-yl) N-[(2S)-2-aminobutyl]carbamate is sourced from PubChem (CID 88876218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).